CID 212537

Phenol, m-tert-butyl-, dimethylcarbamate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)C1=CC(=CC=C1)OC(=O)N(C)C
InChI
InChI=1S/C13H19NO2/c1-13(2,3)10-7-6-8-11(9-10)16-12(15)14(4)5/h6-9H,1-5H3
InChIKey
CJXRFEACYKDEKK-UHFFFAOYSA-N
Compound name
(3-tert-butylphenyl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

221.14159 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.9
[M+Na]+ 244.13081 157.6
[M-H]- 220.13431 156.2
[M+NH4]+ 239.17541 170.2
[M+K]+ 260.10475 157.5
[M+H-H2O]+ 204.13885 144.9
[M+HCOO]- 266.13979 173.9
[M+CH3COO]- 280.15544 195.2
[M+Na-2H]- 242.11626 155.5
[M]+ 221.14104 154.1
[M]- 221.14214 154.1
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

patents stripe