CID 79822

5748-26-5

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)C(=O)C(C)C
InChI
InChI=1S/C15H21NO3/c1-10(2)12-7-6-8-13(9-12)19-15(18)16(5)14(17)11(3)4/h6-11H,1-5H3
InChIKey
PNBLZGHZVYLIMX-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-(2-methylpropanoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.5
[M+Na]+ 286.14135 167.3
[M-H]- 262.14485 167.3
[M+NH4]+ 281.18595 179.5
[M+K]+ 302.11529 167.8
[M+H-H2O]+ 246.14939 155.6
[M+HCOO]- 308.15033 183.8
[M+CH3COO]- 322.16598 204.8
[M+Na-2H]- 284.12680 161.6
[M]+ 263.15158 165.7
[M]- 263.15268 165.7
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.