CID 10729459

[(2e)-2-[(6-amino-2-chloro-purin-9-yl)methylene]cyclopropyl]methanol

Structural Information

Molecular Formula
C10H10ClN5O
SMILES
C\1C(/C1=C/N2C=NC3=C(N=C(N=C32)Cl)N)CO
InChI
InChI=1S/C10H10ClN5O/c11-10-14-8(12)7-9(15-10)16(4-13-7)2-5-1-6(5)3-17/h2,4,6,17H,1,3H2,(H2,12,14,15)/b5-2+
InChIKey
SBHAEFTXVUAYOV-GORDUTHDSA-N
Compound name
[(2E)-2-[(6-amino-2-chloropurin-9-yl)methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.05739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06467 162.3
[M+Na]+ 274.04661 176.5
[M-H]- 250.05011 164.3
[M+NH4]+ 269.09121 172.5
[M+K]+ 290.02055 167.5
[M+H-H2O]+ 234.05465 154.1
[M+HCOO]- 296.05559 178.2
[M+CH3COO]- 310.07124 173.3
[M+Na-2H]- 272.03206 166.0
[M]+ 251.05684 166.6
[M]- 251.05794 166.6
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.