CID 13917

1020-35-5

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC(C)C1=C(C=CC(=C1)OC(=O)NC)C
InChI
InChI=1S/C13H19NO2/c1-5-9(2)12-8-11(7-6-10(12)3)16-13(15)14-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKey
XKYLVMVPFHKXRJ-UHFFFAOYSA-N
Compound name
(3-butan-2-yl-4-methylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.8
[M+Na]+ 244.13081 158.4
[M-H]- 220.13431 155.6
[M+NH4]+ 239.17541 170.4
[M+K]+ 260.10475 157.0
[M+H-H2O]+ 204.13885 145.6
[M+HCOO]- 266.13979 174.8
[M+CH3COO]- 280.15544 194.1
[M+Na-2H]- 242.11626 154.3
[M]+ 221.14104 154.0
[M]- 221.14214 154.0
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.