CID 65858259

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

Structural Information

Molecular Formula
C6H10BrN3
SMILES
CC1=NN(C(=C1Br)CN)C
InChI
InChI=1S/C6H10BrN3/c1-4-6(7)5(3-8)10(2)9-4/h3,8H2,1-2H3
InChIKey
OKAOHZWNSPTWLX-UHFFFAOYSA-N
Compound name
(4-bromo-1,3-dimethylpyrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.00581 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01309 135.0
[M+Na]+ 225.99503 148.7
[M-H]- 201.99853 139.2
[M+NH4]+ 221.03963 157.1
[M+K]+ 241.96897 137.7
[M+H-H2O]+ 186.00307 134.0
[M+HCOO]- 248.00401 156.6
[M+CH3COO]- 262.01966 185.7
[M+Na-2H]- 223.98048 140.7
[M]+ 203.00526 153.4
[M]- 203.00636 153.4
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

No patent data available for this compound.