CID 87143174

Tert-butyl 3-formylphenethylcarbamate

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)NCCC1=CC(=CC=C1)C=O
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-8-7-11-5-4-6-12(9-11)10-16/h4-6,9-10H,7-8H2,1-3H3,(H,15,17)
InChIKey
ZPQVFCBZTIFUKQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3-formylphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

249.13649 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.3
[M+Na]+ 272.12571 164.5
[M-H]- 248.12921 161.8
[M+NH4]+ 267.17031 175.6
[M+K]+ 288.09965 162.7
[M+H-H2O]+ 232.13375 152.0
[M+HCOO]- 294.13469 180.8
[M+CH3COO]- 308.15034 195.9
[M+Na-2H]- 270.11116 163.1
[M]+ 249.13594 161.3
[M]- 249.13704 161.3
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