CID 22894124

1220120-57-9

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC1=CC=C(C=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H19NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKey
BQFYGEPCEBIOCO-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-ethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

221.14159 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.0
[M+Na]+ 244.130808 158.4
[M-H]- 220.134314 155.7
[M+NH4]+ 239.175413 170.6
[M+K]+ 260.104748 156.9
[M+H-H2O]+ 204.138850 146.1
[M+HCOO]- 266.139791 174.4
[M+CH3COO]- 280.155441 191.7
[M+Na-2H]- 242.116256 157.2
[M]+ 221.14104142 153.9
[M]- 221.14213858 153.9
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

patents stripe