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

19
Patents

132.00903 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.016306 122.0
[M+Na]+ 154.998248 132.2
[M-H]- 131.001754 120.5
[M+NH4]+ 150.042853 142.6
[M+K]+ 170.972188 128.4
[M+H-H2O]+ 115.006290 116.6
[M+HCOO]- 177.007231 138.7
[M+CH3COO]- 191.022881 163.5
[M+Na-2H]- 152.983696 128.1
[M]+ 132.00848142 121.4
[M]- 132.00957858 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