CID 6434821

M-crotonotoluidide, n-ethyl-

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]+ 204.138286 147.3
[M+Na]+ 226.120228 153.5
[M-H]- 202.123734 150.6
[M+NH4]+ 221.164833 166.3
[M+K]+ 242.094168 150.4
[M+H-H2O]+ 186.128270 141.0
[M+HCOO]- 248.129211 171.3
[M+CH3COO]- 262.144861 189.8
[M+Na-2H]- 224.105676 151.8
[M]+ 203.13046142 147.7
[M]- 203.13155858 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.