CID 78702

3-bromopropylamine hydrobromide

Structural Information

Molecular Formula
C3H8BrN
SMILES
C(CN)CBr
InChI
InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
InChIKey
ZTGQZSKPSJUEBU-UHFFFAOYSA-N
Compound name
3-bromopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

4643
Patents

136.98401 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.99129 120.6
[M+Na]+ 159.97323 131.6
[M-H]- 135.97673 123.4
[M+NH4]+ 155.01783 145.2
[M+K]+ 175.94717 121.6
[M+H-H2O]+ 119.98127 121.2
[M+HCOO]- 181.98221 143.0
[M+CH3COO]- 195.99786 173.5
[M+Na-2H]- 157.95868 129.4
[M]+ 136.98346 137.3
[M]- 136.98456 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe