CID 16005116

574011-83-9

Structural Information

Molecular Formula
C3H4BrN
SMILES
C(C#CBr)N
InChI
InChI=1S/C3H4BrN/c4-2-1-3-5/h3,5H2
InChIKey
MNPAYJHQXYTXOW-UHFFFAOYSA-N
Compound name
3-bromoprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

132.95271 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.95999 115.1
[M+Na]+ 155.94193 128.4
[M-H]- 131.94543 116.2
[M+NH4]+ 150.98653 137.2
[M+K]+ 171.91587 118.0
[M+H-H2O]+ 115.94997 109.9
[M+HCOO]- 177.95091 134.4
[M+CH3COO]- 191.96656 180.4
[M+Na-2H]- 153.92738 123.3
[M]+ 132.95216 124.6
[M]- 132.95326 124.6
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