CID 362090

Nsc625618

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-13(17)15(14-7-4-3-5-8-14)9-6-11-16(2)12-10-15/h3-5,7-8H,6,9-12H2,1-2H3
InChIKey
VSAAQIAFGFUKFJ-UHFFFAOYSA-N
Compound name
1-(1-methyl-4-phenylazepan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 151.7
[M+Na]+ 254.15153 155.2
[M-H]- 230.15503 157.2
[M+NH4]+ 249.19613 168.6
[M+K]+ 270.12547 156.3
[M+H-H2O]+ 214.15957 144.6
[M+HCOO]- 276.16051 169.0
[M+CH3COO]- 290.17616 192.6
[M+Na-2H]- 252.13698 155.1
[M]+ 231.16176 145.1
[M]- 231.16286 145.1
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.