CID 541874

(3-chloropropyl)(methyl)amine hydrochloride

Structural Information

Molecular Formula
C4H10ClN
SMILES
CNCCCCl
InChI
InChI=1S/C4H10ClN/c1-6-4-2-3-5/h6H,2-4H2,1H3
InChIKey
QLHYVFSGYNVMPW-UHFFFAOYSA-N
Compound name
3-chloro-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

417
Patents

107.05018 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.057456 119.8
[M+Na]+ 130.039398 127.7
[M-H]- 106.042904 120.1
[M+NH4]+ 125.084003 143.5
[M+K]+ 146.013338 125.8
[M+H-H2O]+ 90.047440 116.4
[M+HCOO]- 152.048381 140.7
[M+CH3COO]- 166.064031 169.9
[M+Na-2H]- 128.024846 127.7
[M]+ 107.04963142 121.2
[M]- 107.05072858 121.2
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