CID 3073897

153788-06-8

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCCCCCCC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C17H27NO/c1-2-3-4-5-6-10-13-17(19)16(18)14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3
InChIKey
MHIZSRQYEVQEPW-UHFFFAOYSA-N
Compound name
2-amino-1-phenylundecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 168.6
[M+Na]+ 284.19848 171.4
[M-H]- 260.20198 170.1
[M+NH4]+ 279.24308 184.4
[M+K]+ 300.17242 167.9
[M+H-H2O]+ 244.20652 161.1
[M+HCOO]- 306.20746 189.2
[M+CH3COO]- 320.22311 202.5
[M+Na-2H]- 282.18393 169.1
[M]+ 261.20871 169.0
[M]- 261.20981 169.0
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.