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]+ 255.08948 157.4
[M+Na]+ 277.07142 164.1
[M-H]- 253.07492 162.2
[M+NH4]+ 272.11602 175.5
[M+K]+ 293.04536 161.1
[M+H-H2O]+ 237.07946 151.2
[M+HCOO]- 299.08040 178.9
[M+CH3COO]- 313.09605 199.7
[M+Na-2H]- 275.05687 161.3
[M]+ 254.08165 161.2
[M]- 254.08275 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.