CID 3927222

[3-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C14H22N6O
SMILES
CC1(C(CCC1(C)CO)CN2C3=NC=NC(=C3N=N2)N)C
InChI
InChI=1S/C14H22N6O/c1-13(2)9(4-5-14(13,3)7-21)6-20-12-10(18-19-20)11(15)16-8-17-12/h8-9,21H,4-7H2,1-3H3,(H2,15,16,17)
InChIKey
WYFCYAWADTZWLO-UHFFFAOYSA-N
Compound name
[3-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.18552 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19280 165.7
[M+Na]+ 313.17474 176.9
[M-H]- 289.17824 166.9
[M+NH4]+ 308.21934 182.6
[M+K]+ 329.14868 172.2
[M+H-H2O]+ 273.18278 157.0
[M+HCOO]- 335.18372 182.9
[M+CH3COO]- 349.19937 176.6
[M+Na-2H]- 311.16019 168.8
[M]+ 290.18497 166.9
[M]- 290.18607 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.