CID 206643

Phenol, 2-allyl-4-tert-butyl-, carbamate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC(=O)N)CC=C
InChI
InChI=1S/C14H19NO2/c1-5-6-10-9-11(14(2,3)4)7-8-12(10)17-13(15)16/h5,7-9H,1,6H2,2-4H3,(H2,15,16)
InChIKey
KALBYIWOXKDTLE-UHFFFAOYSA-N
Compound name
(4-tert-butyl-2-prop-2-enylphenyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.9
[M+Na]+ 256.13081 162.1
[M-H]- 232.13431 158.3
[M+NH4]+ 251.17541 172.9
[M+K]+ 272.10475 159.4
[M+H-H2O]+ 216.13885 149.1
[M+HCOO]- 278.13979 176.5
[M+CH3COO]- 292.15544 195.1
[M+Na-2H]- 254.11626 157.8
[M]+ 233.14104 155.9
[M]- 233.14214 155.9
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.