CID 5279425

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

Structural Information

Molecular Formula
C11H15N5O
SMILES
CC1(CC1CO)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O/c1-11(2-7(11)3-17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)
InChIKey
MDWSGWRKIJHPTE-UHFFFAOYSA-N
Compound name
[2-[(6-aminopurin-9-yl)methyl]-2-methylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.12766 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 161.6
[M+Na]+ 256.11688 174.8
[M-H]- 232.12038 164.1
[M+NH4]+ 251.16148 173.6
[M+K]+ 272.09082 168.4
[M+H-H2O]+ 216.12492 153.8
[M+HCOO]- 278.12586 181.5
[M+CH3COO]- 292.14151 173.0
[M+Na-2H]- 254.10233 167.3
[M]+ 233.12711 165.6
[M]- 233.12821 165.6
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.