CID 30037

20228-96-0

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OCCN(C)C
InChI
InChI=1S/C12H17ClN2O2/c1-9-5-4-6-10(13)11(9)14-12(16)17-8-7-15(2)3/h4-6H,7-8H2,1-3H3,(H,14,16)
InChIKey
FRWXKINUOBHEMG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 157.1
[M+Na]+ 279.08709 168.5
[M+NH4]+ 274.13169 164.8
[M+K]+ 295.06103 162.2
[M-H]- 255.09059 159.8
[M+Na-2H]- 277.07254 162.9
[M]+ 256.09732 159.6
[M]- 256.09842 159.6
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.