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]+ 262.216536 168.6
[M+Na]+ 284.198478 171.4
[M-H]- 260.201984 170.1
[M+NH4]+ 279.243083 184.4
[M+K]+ 300.172418 167.9
[M+H-H2O]+ 244.206520 161.1
[M+HCOO]- 306.207461 189.2
[M+CH3COO]- 320.223111 202.5
[M+Na-2H]- 282.183926 169.1
[M]+ 261.20871142 169.0
[M]- 261.20980858 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.