CID 7018577

(4-chloro-3,5-dimethyl-1h-pyrazol-1-yl)methanol

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
CC1=C(C(=NN1CO)C)Cl
InChI
InChI=1S/C6H9ClN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3
InChIKey
NVICRVZMUABBKZ-UHFFFAOYSA-N
Compound name
(4-chloro-3,5-dimethylpyrazol-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

160.04034 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04762 129.9
[M+Na]+ 183.02956 141.6
[M-H]- 159.03306 130.3
[M+NH4]+ 178.07416 150.9
[M+K]+ 199.00350 138.1
[M+H-H2O]+ 143.03760 124.6
[M+HCOO]- 205.03854 147.5
[M+CH3COO]- 219.05419 174.4
[M+Na-2H]- 181.01501 134.1
[M]+ 160.03979 132.7
[M]- 160.04089 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe