CID 437073

153788-04-6

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCCC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C15H23NO/c1-2-3-4-8-11-15(17)14(16)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3
InChIKey
BYYREEOEGVJVBN-UHFFFAOYSA-N
Compound name
2-amino-1-phenylnonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 159.4
[M+Na]+ 256.167178 163.1
[M-H]- 232.170684 161.4
[M+NH4]+ 251.211783 176.4
[M+K]+ 272.141118 160.1
[M+H-H2O]+ 216.175220 152.3
[M+HCOO]- 278.176161 180.7
[M+CH3COO]- 292.191811 196.5
[M+Na-2H]- 254.152626 161.0
[M]+ 233.17741142 159.1
[M]- 233.17850858 159.1
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.