CID 193264

Ethyl 2-chloroethanecarboximidate hydrochloride

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CCOC(=N)CCl
InChI
InChI=1S/C4H8ClNO/c1-2-7-4(6)3-5/h6H,2-3H2,1H3
InChIKey
VDNWDRKRMWWQFL-UHFFFAOYSA-N
Compound name
ethyl 2-chloroethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

435
Patents

121.02944 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.036716 121.9
[M+Na]+ 144.018658 130.0
[M-H]- 120.022164 122.4
[M+NH4]+ 139.063263 144.9
[M+K]+ 159.992598 128.3
[M+H-H2O]+ 104.026700 118.5
[M+HCOO]- 166.027641 142.3
[M+CH3COO]- 180.043291 171.0
[M+Na-2H]- 142.004106 128.5
[M]+ 121.02889142 123.3
[M]- 121.02998858 123.3
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