CID 541874

97145-88-5

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

323
Patents

107.05018 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05746 117.7
[M+Na]+ 130.03940 129.2
[M+NH4]+ 125.08400 127.2
[M+K]+ 146.01334 122.4
[M-H]- 106.04290 118.7
[M+Na-2H]- 128.02485 123.4
[M]+ 107.04963 119.8
[M]- 107.05073 119.8
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