CID 5279427

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

Structural Information

Molecular Formula
C11H13ClN4O
SMILES
CC1(CC1CO)CN2C=NC3=CN=C(N=C32)Cl
InChI
InChI=1S/C11H13ClN4O/c1-11(2-7(11)4-17)5-16-6-14-8-3-13-10(12)15-9(8)16/h3,6-7,17H,2,4-5H2,1H3
InChIKey
OAQMPPQSBUNSQV-UHFFFAOYSA-N
Compound name
[2-[(2-chloropurin-9-yl)methyl]-2-methylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.07779 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08507 163.0
[M+Na]+ 275.06701 177.0
[M-H]- 251.07051 165.1
[M+NH4]+ 270.11161 175.2
[M+K]+ 291.04095 170.0
[M+H-H2O]+ 235.07505 154.9
[M+HCOO]- 297.07599 177.6
[M+CH3COO]- 311.09164 174.3
[M+Na-2H]- 273.05246 168.2
[M]+ 252.07724 169.6
[M]- 252.07834 169.6
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.