CID 67148811

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

Structural Information

Molecular Formula
C6H10ClN3
SMILES
CC1=NN(C(=C1CN)Cl)C
InChI
InChI=1S/C6H10ClN3/c1-4-5(3-8)6(7)10(2)9-4/h3,8H2,1-2H3
InChIKey
NBWUVGBLPKAILZ-UHFFFAOYSA-N
Compound name
(5-chloro-1,3-dimethylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

159.05632 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06360 132.0
[M+Na]+ 182.04554 143.2
[M-H]- 158.04904 133.1
[M+NH4]+ 177.09014 153.1
[M+K]+ 198.01948 139.7
[M+H-H2O]+ 142.05358 126.0
[M+HCOO]- 204.05452 151.2
[M+CH3COO]- 218.07017 179.1
[M+Na-2H]- 180.03099 135.8
[M]+ 159.05577 133.4
[M]- 159.05687 133.4
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