CID 71404093

2-aminooctadeca-3,5-dien-1-ol

Structural Information

Molecular Formula
C18H35NO
SMILES
CCCCCCCCCCCCC=CC=CC(CO)N
InChI
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h13-16,18,20H,2-12,17,19H2,1H3
InChIKey
YWJKMMURCWZLDW-UHFFFAOYSA-N
Compound name
2-aminooctadeca-3,5-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

281.27185 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.279126 179.2
[M+Na]+ 304.261068 180.6
[M-H]- 280.264574 175.3
[M+NH4]+ 299.305673 194.0
[M+K]+ 320.235008 175.6
[M+H-H2O]+ 264.269110 172.4
[M+HCOO]- 326.270051 197.5
[M+CH3COO]- 340.285701 204.7
[M+Na-2H]- 302.246516 177.2
[M]+ 281.27130142 180.4
[M]- 281.27239858 180.4
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

patents stripe