CID 12680764

Methyl 2-chloroacetimidate hydrochloride

Structural Information

Molecular Formula
C3H6ClNO
SMILES
COC(=N)CCl
InChI
InChI=1S/C3H6ClNO/c1-6-3(5)2-4/h5H,2H2,1H3
InChIKey
GAWAXYCUBKOJQP-UHFFFAOYSA-N
Compound name
methyl 2-chloroethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

107.013794 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 116.3
[M+Na]+ 130.00301 127.2
[M+NH4]+ 125.04762 124.9
[M+K]+ 145.97695 121.8
[M-H]- 106.00652 116.3
[M+Na-2H]- 127.98846 121.2
[M]+ 107.01325 117.9
[M]- 107.01434 117.9
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