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

20
Patents

146.02469 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.03197 125.6
[M+Na]+ 169.01391 136.8
[M-H]- 145.01741 125.8
[M+NH4]+ 164.05851 146.8
[M+K]+ 184.98785 133.6
[M+H-H2O]+ 129.02195 120.1
[M+HCOO]- 191.02289 143.6
[M+CH3COO]- 205.03854 170.3
[M+Na-2H]- 166.99936 131.0
[M]+ 146.02414 127.7
[M]- 146.02524 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