CID 6434376

Brn 2273421

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)(C)N(CCO)C(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C15H21NO2/c1-15(2,3)16(11-12-17)14(18)10-9-13-7-5-4-6-8-13/h4-10,17H,11-12H2,1-3H3/b10-9+
InChIKey
VEBMYRKNXMTFTI-MDZDMXLPSA-N
Compound name
(E)-N-tert-butyl-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 160.4
[M+Na]+ 270.14645 165.1
[M-H]- 246.14995 163.4
[M+NH4]+ 265.19105 177.4
[M+K]+ 286.12039 163.0
[M+H-H2O]+ 230.15449 154.0
[M+HCOO]- 292.15543 181.4
[M+CH3COO]- 306.17108 196.5
[M+Na-2H]- 268.13190 164.0
[M]+ 247.15668 161.3
[M]- 247.15778 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

No patent data available for this compound.