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 158.0
[M+Na]+ 279.08709 165.3
[M-H]- 255.09059 163.1
[M+NH4]+ 274.13169 176.4
[M+K]+ 295.06103 163.0
[M+H-H2O]+ 239.09513 152.0
[M+HCOO]- 301.09607 179.3
[M+CH3COO]- 315.11172 202.4
[M+Na-2H]- 277.07254 161.2
[M]+ 256.09732 163.0
[M]- 256.09842 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.