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 152.5
[M+Na]+ 264.07618 161.2
[M-H]- 240.07968 156.7
[M+NH4]+ 259.12078 171.5
[M+K]+ 280.05012 158.1
[M+H-H2O]+ 224.08422 147.6
[M+HCOO]- 286.08516 171.3
[M+CH3COO]- 300.10081 196.1
[M+Na-2H]- 262.06163 154.4
[M]+ 241.08641 156.8
[M]- 241.08751 156.8
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.