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]+ 204.013086 135.0
[M+Na]+ 225.995028 148.7
[M-H]- 201.998534 139.2
[M+NH4]+ 221.039633 157.1
[M+K]+ 241.968968 137.7
[M+H-H2O]+ 186.003070 134.0
[M+HCOO]- 248.004011 156.6
[M+CH3COO]- 262.019661 185.7
[M+Na-2H]- 223.980476 140.7
[M]+ 203.00526142 153.4
[M]- 203.00635858 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.