CID 7019326

3-(4-bromo-1h-pyrazol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C6H10BrN3
SMILES
C1=C(C=NN1CCCN)Br
InChI
InChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2
InChIKey
UMQTYNMMQRQZLZ-UHFFFAOYSA-N
Compound name
3-(4-bromopyrazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.00581 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.013086 135.2
[M+Na]+ 225.995028 147.2
[M-H]- 201.998534 138.6
[M+NH4]+ 221.039633 156.7
[M+K]+ 241.968968 136.3
[M+H-H2O]+ 186.003070 133.8
[M+HCOO]- 248.004011 156.9
[M+CH3COO]- 262.019661 183.5
[M+Na-2H]- 223.980476 142.3
[M]+ 203.00526142 152.9
[M]- 203.00635858 152.9
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