CID 245954

7460-24-4

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CCC(C)(C)OC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C12H16ClNO2/c1-4-12(2,3)16-11(15)14-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3,(H,14,15)
InChIKey
PXKLJLHBYKBEHS-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 153.6
[M+Na]+ 264.07618 161.2
[M-H]- 240.07968 157.4
[M+NH4]+ 259.12078 172.2
[M+K]+ 280.05012 157.9
[M+H-H2O]+ 224.08422 148.6
[M+HCOO]- 286.08516 171.9
[M+CH3COO]- 300.10081 193.1
[M+Na-2H]- 262.06163 158.9
[M]+ 241.08641 157.3
[M]- 241.08751 157.3
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.