CID 28705

Brn 2284872

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)OC(=O)NC
InChI
InChI=1S/C14H21NO3/c1-8(2)11-6-10(18-14(17)15-5)7-12(9(3)4)13(11)16/h6-9,16H,1-5H3,(H,15,17)
InChIKey
FDHWAMABAOOBAL-UHFFFAOYSA-N
Compound name
[4-hydroxy-3,5-di(propan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.3
[M+Na]+ 274.14137 165.6
[M-H]- 250.14487 162.0
[M+NH4]+ 269.18597 176.1
[M+K]+ 290.11531 164.3
[M+H-H2O]+ 234.14941 153.3
[M+HCOO]- 296.15035 179.6
[M+CH3COO]- 310.16600 199.0
[M+Na-2H]- 272.12682 158.9
[M]+ 251.15160 161.2
[M]- 251.15270 161.2
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.