CID 23374

2-bromoprop-2-en-1-amine

Structural Information

Molecular Formula
C3H6BrN
SMILES
C=C(CN)Br
InChI
InChI=1S/C3H6BrN/c1-3(4)2-5/h1-2,5H2
InChIKey
XFSISDMYBCYBKG-UHFFFAOYSA-N
Compound name
2-bromoprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

134.96835 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.97563 120.0
[M+Na]+ 157.95757 131.0
[M-H]- 133.96107 122.9
[M+NH4]+ 153.00217 144.5
[M+K]+ 173.93151 120.8
[M+H-H2O]+ 117.96561 120.6
[M+HCOO]- 179.96655 141.6
[M+CH3COO]- 193.98220 173.3
[M+Na-2H]- 155.94302 127.5
[M]+ 134.96780 135.3
[M]- 134.96890 135.3
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