CID 60910727

{7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl}methanol

Structural Information

Molecular Formula
C6H5ClN4O
SMILES
C1=C(N=CN2C1=NN=C2CO)Cl
InChI
InChI=1S/C6H5ClN4O/c7-4-1-5-9-10-6(2-12)11(5)3-8-4/h1,3,12H,2H2
InChIKey
XOVBXAYMZAVUPX-UHFFFAOYSA-N
Compound name
(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02246 132.7
[M+Na]+ 207.00440 145.9
[M-H]- 183.00790 131.5
[M+NH4]+ 202.04900 150.6
[M+K]+ 222.97834 141.3
[M+H-H2O]+ 167.01244 125.1
[M+HCOO]- 229.01338 148.9
[M+CH3COO]- 243.02903 146.2
[M+Na-2H]- 204.98985 141.3
[M]+ 184.01463 136.6
[M]- 184.01573 136.6
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.