CID 9589308

N-((ethoxycarbonyl)oxy)-2-methylpropanimidoyl chloride

Structural Information

Molecular Formula
C7H12ClNO3
SMILES
CCOC(=O)O/N=C(/C(C)C)\Cl
InChI
InChI=1S/C7H12ClNO3/c1-4-11-7(10)12-9-6(8)5(2)3/h5H,4H2,1-3H3/b9-6-
InChIKey
YQYHOEKQWDMNLD-TWGQIWQCSA-N
Compound name
[(Z)-(1-chloro-2-methylpropylidene)amino] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05057 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05785 139.1
[M+Na]+ 216.03979 148.3
[M+NH4]+ 211.08439 145.8
[M+K]+ 232.01373 144.2
[M-H]- 192.04329 137.8
[M+Na-2H]- 214.02524 141.8
[M]+ 193.05002 139.9
[M]- 193.05112 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.