CID 67148811

2866335-83-1

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]+ 160.063596 132.0
[M+Na]+ 182.045538 143.2
[M-H]- 158.049044 133.1
[M+NH4]+ 177.090143 153.1
[M+K]+ 198.019478 139.7
[M+H-H2O]+ 142.053580 126.0
[M+HCOO]- 204.054521 151.2
[M+CH3COO]- 218.070171 179.1
[M+Na-2H]- 180.030986 135.8
[M]+ 159.05577142 133.4
[M]- 159.05686858 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