CID 84629

3-chloropropylamine

Structural Information

Molecular Formula
C3H8ClN
SMILES
C(CN)CCl
InChI
InChI=1S/C3H8ClN/c4-2-1-3-5/h1-3,5H2
InChIKey
BZFKSWOGZQMOMO-UHFFFAOYSA-N
Compound name
3-chloropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3144
Patents

93.03453 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.041806 115.6
[M+Na]+ 116.023748 123.9
[M-H]- 92.027254 115.5
[M+NH4]+ 111.068353 139.5
[M+K]+ 131.997688 121.9
[M+H-H2O]+ 76.031790 112.4
[M+HCOO]- 138.032731 136.1
[M+CH3COO]- 152.048381 166.1
[M+Na-2H]- 114.009196 123.0
[M]+ 93.03398142 115.5
[M]- 93.03507858 115.5
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