CID 10975406

2-chloroprop-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C3H6ClN
SMILES
C=C(CN)Cl
InChI
InChI=1S/C3H6ClN/c1-3(4)2-5/h1-2,5H2
InChIKey
KRCDPKVWFBITBB-UHFFFAOYSA-N
Compound name
2-chloroprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

114
Patents

91.018875 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.026151 114.7
[M+Na]+ 114.008093 123.1
[M-H]- 90.011599 114.9
[M+NH4]+ 109.052698 138.6
[M+K]+ 129.982033 120.9
[M+H-H2O]+ 74.016135 111.7
[M+HCOO]- 136.017076 134.5
[M+CH3COO]- 150.032726 166.0
[M+Na-2H]- 111.993541 120.8
[M]+ 91.01832642 113.4
[M]- 91.01942358 113.4
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