CID 5747569

171199-25-0

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CCC/C(=N/OC(=O)NC1=CC=CC(=C1)C)/Cl
InChI
InChI=1S/C12H15ClN2O2/c1-3-5-11(13)15-17-12(16)14-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,14,16)/b15-11-
InChIKey
CGUYIUUHADEPNR-PTNGSMBKSA-N
Compound name
[(Z)-1-chlorobutylideneamino] N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.089476 157.4
[M+Na]+ 277.071418 164.1
[M-H]- 253.074924 162.2
[M+NH4]+ 272.116023 175.5
[M+K]+ 293.045358 161.1
[M+H-H2O]+ 237.079460 151.2
[M+HCOO]- 299.080401 178.9
[M+CH3COO]- 313.096051 199.7
[M+Na-2H]- 275.056866 161.3
[M]+ 254.08165142 161.2
[M]- 254.08274858 161.2
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.