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

5
Patents

203.00581 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01309 135.2
[M+Na]+ 225.99503 147.2
[M-H]- 201.99853 138.6
[M+NH4]+ 221.03963 156.7
[M+K]+ 241.96897 136.3
[M+H-H2O]+ 186.00307 133.8
[M+HCOO]- 248.00401 156.9
[M+CH3COO]- 262.01966 183.5
[M+Na-2H]- 223.98048 142.3
[M]+ 203.00526 152.9
[M]- 203.00636 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