CID 3033122

2-butenamide, n,n,2-trimethyl-3-phenyl-, (e)-

Structural Information

Molecular Formula
C13H17NO
SMILES
C/C(=C(/C)\C(=O)N(C)C)/C1=CC=CC=C1
InChI
InChI=1S/C13H17NO/c1-10(11(2)13(15)14(3)4)12-8-6-5-7-9-12/h5-9H,1-4H3/b11-10+
InChIKey
VRJLVIBIRBMQHY-ZHACJKMWSA-N
Compound name
(E)-N,N,2-trimethyl-3-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.9
[M+Na]+ 226.12023 152.9
[M-H]- 202.12373 152.6
[M+NH4]+ 221.16483 167.2
[M+K]+ 242.09417 152.2
[M+H-H2O]+ 186.12827 141.4
[M+HCOO]- 248.12921 170.4
[M+CH3COO]- 262.14486 193.3
[M+Na-2H]- 224.10568 149.9
[M]+ 203.13046 147.8
[M]- 203.13156 147.8
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.