CID 5747577

171199-30-7

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CCC/C(=N/OC(=O)N(C)C1=CC=CC=C1)/Cl
InChI
InChI=1S/C12H15ClN2O2/c1-3-7-11(13)14-17-12(16)15(2)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3/b14-11-
InChIKey
XQNORWJXGUYXRO-KAMYIIQDSA-N
Compound name
[(Z)-1-chlorobutylideneamino] N-methyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.089476 157.7
[M+Na]+ 277.071418 163.7
[M-H]- 253.074924 163.6
[M+NH4]+ 272.116023 176.1
[M+K]+ 293.045358 162.0
[M+H-H2O]+ 237.079460 151.0
[M+HCOO]- 299.080401 179.7
[M+CH3COO]- 313.096051 202.0
[M+Na-2H]- 275.056866 161.6
[M]+ 254.08165142 162.5
[M]- 254.08274858 162.5
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.