CID 147952312

Tert-butyl 4-(prop-2-enamido)benzoate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=O)C=C
InChI
InChI=1S/C14H17NO3/c1-5-12(16)15-11-8-6-10(7-9-11)13(17)18-14(2,3)4/h5-9H,1H2,2-4H3,(H,15,16)
InChIKey
INVVNZVNAQIJNG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(prop-2-enoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

247.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.5
[M+Na]+ 270.11007 162.7
[M-H]- 246.11357 160.1
[M+NH4]+ 265.15467 173.7
[M+K]+ 286.08401 160.9
[M+H-H2O]+ 230.11811 150.4
[M+HCOO]- 292.11905 178.2
[M+CH3COO]- 306.13470 195.9
[M+Na-2H]- 268.09552 160.1
[M]+ 247.12030 158.1
[M]- 247.12140 158.1
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