CID 3053076

69484-90-8

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCCCCCCC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-12-15-17(20)18(19)16-13-10-9-11-14-16/h9-11,13-14,18H,2-8,12,15,19H2,1H3
InChIKey
BXMPZTSRTCGRLF-UHFFFAOYSA-N
Compound name
1-amino-1-phenyldodecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 173.1
[M+Na]+ 298.21412 175.5
[M-H]- 274.21762 174.5
[M+NH4]+ 293.25872 188.4
[M+K]+ 314.18806 171.8
[M+H-H2O]+ 258.22216 165.4
[M+HCOO]- 320.22310 193.4
[M+CH3COO]- 334.23875 205.5
[M+Na-2H]- 296.19957 173.1
[M]+ 275.22435 173.9
[M]- 275.22545 173.9
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.