CID 5279426

[2-(6-amino-2-chloro-purin-9-ylmethyl)-2-methyl-cyclopropyl]-methanol

Structural Information

Molecular Formula
C11H14ClN5O
SMILES
CC1(CC1CO)CN2C=NC3=C(N=C(N=C32)Cl)N
InChI
InChI=1S/C11H14ClN5O/c1-11(2-6(11)3-18)4-17-5-14-7-8(13)15-10(12)16-9(7)17/h5-6,18H,2-4H2,1H3,(H2,13,15,16)
InChIKey
BABZHNOIVBRFFY-UHFFFAOYSA-N
Compound name
[2-[(6-amino-2-chloropurin-9-yl)methyl]-2-methylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.08868 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09596 165.5
[M+Na]+ 290.07790 179.6
[M-H]- 266.08140 167.6
[M+NH4]+ 285.12250 177.0
[M+K]+ 306.05184 171.9
[M+H-H2O]+ 250.08594 158.0
[M+HCOO]- 312.08688 180.6
[M+CH3COO]- 326.10253 176.5
[M+Na-2H]- 288.06335 169.9
[M]+ 267.08813 171.3
[M]- 267.08923 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.