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]+ 257.105146 158.0
[M+Na]+ 279.087088 165.3
[M-H]- 255.090594 163.1
[M+NH4]+ 274.131693 176.4
[M+K]+ 295.061028 163.0
[M+H-H2O]+ 239.095130 152.0
[M+HCOO]- 301.096071 179.3
[M+CH3COO]- 315.111721 202.4
[M+Na-2H]- 277.072536 161.2
[M]+ 256.09732142 163.0
[M]- 256.09841858 163.0
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.