CID 53839325

1067894-58-9

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
C1=C(NC(=N1)Cl)CO
InChI
InChI=1S/C4H5ClN2O/c5-4-6-1-3(2-8)7-4/h1,8H,2H2,(H,6,7)
InChIKey
GHYCTEGDGQVTTK-UHFFFAOYSA-N
Compound name
(2-chloro-1H-imidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

132.00903 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 122.0
[M+Na]+ 154.99825 132.2
[M-H]- 131.00175 120.5
[M+NH4]+ 150.04285 142.6
[M+K]+ 170.97219 128.4
[M+H-H2O]+ 115.00629 116.6
[M+HCOO]- 177.00723 138.7
[M+CH3COO]- 191.02288 163.5
[M+Na-2H]- 152.98370 128.1
[M]+ 132.00848 121.4
[M]- 132.00958 121.4
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

patents stripe