CID 28605

Carbamic acid, methyl-, 6-chlorothymyl ester

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC1=C(C(=C(C=C1)C(C)C)OC(=O)NC)Cl
InChI
InChI=1S/C12H16ClNO2/c1-7(2)9-6-5-8(3)10(13)11(9)16-12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKey
SJFVLRSDYVADNO-UHFFFAOYSA-N
Compound name
(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 152.7
[M+Na]+ 264.07618 165.2
[M+NH4]+ 259.12078 160.6
[M+K]+ 280.05012 159.1
[M-H]- 240.07968 154.8
[M+Na-2H]- 262.06163 158.1
[M]+ 241.08641 155.3
[M]- 241.08751 155.3
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.