CID 2794573

71556-74-6

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H21NO2/c1-3-15(12-7-6-8-13(17)11-12)9-4-5-10-16(2)14(15)18/h6-8,11,17H,3-5,9-10H2,1-2H3
InChIKey
YFSJZMANJNLCOQ-UHFFFAOYSA-N
Compound name
3-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

247.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 155.0
[M+Na]+ 270.14645 159.9
[M-H]- 246.14995 159.8
[M+NH4]+ 265.19105 171.2
[M+K]+ 286.12039 160.7
[M+H-H2O]+ 230.15449 148.3
[M+HCOO]- 292.15543 171.9
[M+CH3COO]- 306.17108 193.4
[M+Na-2H]- 268.13190 157.8
[M]+ 247.15668 149.4
[M]- 247.15778 149.4
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