CID 9503

Hooker hrs-1422

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)C1=CC(=CC(=C1)OC(=O)NC)C(C)C
InChI
InChI=1S/C14H21NO2/c1-9(2)11-6-12(10(3)4)8-13(7-11)17-14(16)15-5/h6-10H,1-5H3,(H,15,16)
InChIKey
CUTUCYVZTGGYDL-UHFFFAOYSA-N
Compound name
[3,5-di(propan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

235.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.4
[M+Na]+ 258.14645 162.4
[M-H]- 234.14995 160.2
[M+NH4]+ 253.19105 174.4
[M+K]+ 274.12039 161.2
[M+H-H2O]+ 218.15449 150.1
[M+HCOO]- 280.15543 178.1
[M+CH3COO]- 294.17108 198.1
[M+Na-2H]- 256.13190 157.1
[M]+ 235.15668 158.3
[M]- 235.15778 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe