CID 61580

Peg-2 oleamine

Structural Information

Molecular Formula
C22H45NO2
SMILES
CCCCCCCCC=CCCCCCCCCN(CCO)CCO
InChI
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3
InChIKey
BITAPBDLHJQAID-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(octadec-9-enyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5426
Patents

355.34503 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.35231 200.3
[M+Na]+ 378.33425 199.6
[M-H]- 354.33775 196.1
[M+NH4]+ 373.37885 212.3
[M+K]+ 394.30819 195.1
[M+H-H2O]+ 338.34229 192.4
[M+HCOO]- 400.34323 217.9
[M+CH3COO]- 414.35888 220.6
[M+Na-2H]- 376.31970 197.3
[M]+ 355.34448 206.3
[M]- 355.34558 206.3
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