CID 71327011

2-aminooctadec-14-en-1-ol

Structural Information

Molecular Formula
C18H37NO
SMILES
CCCC=CCCCCCCCCCCCC(CO)N
InChI
InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h4-5,18,20H,2-3,6-17,19H2,1H3
InChIKey
BQVDPIUYKUJERZ-UHFFFAOYSA-N
Compound name
2-aminooctadec-14-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.2875 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.294776 180.5
[M+Na]+ 306.276718 181.5
[M-H]- 282.280224 176.5
[M+NH4]+ 301.321323 195.2
[M+K]+ 322.250658 177.1
[M+H-H2O]+ 266.284760 173.6
[M+HCOO]- 328.285701 198.6
[M+CH3COO]- 342.301351 206.2
[M+Na-2H]- 304.262166 178.4
[M]+ 283.28695142 182.5
[M]- 283.28804858 182.5
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.