CID 496136

Nsc680295

Structural Information

Molecular Formula
C8H11ClN4O
SMILES
C1C(C1NC2=C(C(=NC=N2)Cl)N)CO
InChI
InChI=1S/C8H11ClN4O/c9-7-6(10)8(12-3-11-7)13-5-1-4(5)2-14/h3-5,14H,1-2,10H2,(H,11,12,13)
InChIKey
LZUXPHAFDIFTAQ-UHFFFAOYSA-N
Compound name
[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.06213 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06941 145.1
[M+Na]+ 237.05135 155.9
[M-H]- 213.05485 148.5
[M+NH4]+ 232.09595 156.2
[M+K]+ 253.02529 149.5
[M+H-H2O]+ 197.05939 138.1
[M+HCOO]- 259.06033 163.6
[M+CH3COO]- 273.07598 191.2
[M+Na-2H]- 235.03680 150.6
[M]+ 214.06158 146.9
[M]- 214.06268 146.9
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.