CID 3015554

Schembl8629416

Structural Information

Molecular Formula
C20H41NO
SMILES
CCCCCCCCC=CCCCCCCCCNCCO
InChI
InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3
InChIKey
ZMOMBHNITWAALH-UHFFFAOYSA-N
Compound name
2-(octadec-9-enylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

605
Patents

311.31882 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.326096 187.5
[M+Na]+ 334.308038 187.9
[M-H]- 310.311544 183.6
[M+NH4]+ 329.352643 201.4
[M+K]+ 350.281978 182.9
[M+H-H2O]+ 294.316080 180.1
[M+HCOO]- 356.317021 206.6
[M+CH3COO]- 370.332671 212.1
[M+Na-2H]- 332.293486 186.9
[M]+ 311.31827142 192.0
[M]- 311.31936858 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe