CID 6434821

(e)-1-[3-(ethylamino)phenyl]pent-3-en-2-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CCNC1=CC=CC(=C1)CC(=O)/C=C/C
InChI
InChI=1S/C13H17NO/c1-3-6-13(15)10-11-7-5-8-12(9-11)14-4-2/h3,5-9,14H,4,10H2,1-2H3/b6-3+
InChIKey
BMBPJKWDVYCCHV-ZZXKWVIFSA-N
Compound name
(E)-1-[3-(ethylamino)phenyl]pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.3
[M+Na]+ 226.12023 153.5
[M-H]- 202.12373 150.6
[M+NH4]+ 221.16483 166.3
[M+K]+ 242.09417 150.4
[M+H-H2O]+ 186.12827 141.0
[M+HCOO]- 248.12921 171.3
[M+CH3COO]- 262.14486 189.8
[M+Na-2H]- 224.10568 151.8
[M]+ 203.13046 147.7
[M]- 203.13156 147.7
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.