CID 20652

2-chloroethyl(methyl)azanium;chloride

Structural Information

Molecular Formula
C3H8ClN
SMILES
CNCCCl
InChI
InChI=1S/C3H8ClN/c1-5-3-2-4/h5H,2-3H2,1H3
InChIKey
YFBQXUGQIFAFMM-UHFFFAOYSA-N
Compound name
2-chloro-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

992
Patents

93.03453 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.041806 115.1
[M+Na]+ 116.02375 123.4
[M-H]- 92.027254 115.6
[M+NH4]+ 111.06835 139.4
[M+K]+ 131.99769 121.8
[M+H-H2O]+ 76.031790 112.0
[M+HCOO]- 138.03273 136.3
[M+CH3COO]- 152.04838 166.9
[M+Na-2H]- 114.00920 123.6
[M]+ 93.033981 116.1
[M]- 93.035079 116.1
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