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]+ 255.08948 157.7
[M+Na]+ 277.07142 163.7
[M-H]- 253.07492 163.6
[M+NH4]+ 272.11602 176.1
[M+K]+ 293.04536 162.0
[M+H-H2O]+ 237.07946 151.0
[M+HCOO]- 299.08040 179.7
[M+CH3COO]- 313.09605 202.0
[M+Na-2H]- 275.05687 161.6
[M]+ 254.08165 162.5
[M]- 254.08275 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.