CID 55255171

(4-chloro-1-methyl-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C5H7ClN2O
SMILES
CN1C=C(C(=N1)CO)Cl
InChI
InChI=1S/C5H7ClN2O/c1-8-2-4(6)5(3-9)7-8/h2,9H,3H2,1H3
InChIKey
YZRRJOFZIXPPOQ-UHFFFAOYSA-N
Compound name
(4-chloro-1-methylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

146.02469 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.031966 125.6
[M+Na]+ 169.013908 136.8
[M-H]- 145.017414 125.8
[M+NH4]+ 164.058513 146.8
[M+K]+ 184.987848 133.6
[M+H-H2O]+ 129.021950 120.1
[M+HCOO]- 191.022891 143.6
[M+CH3COO]- 205.038541 170.3
[M+Na-2H]- 166.999356 131.0
[M]+ 146.02414142 127.7
[M]- 146.02523858 127.7
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