CID 76956099

Peg-3 oleamine

Structural Information

Molecular Formula
C24H49NO3
SMILES
CCCCCCCC/C=C\CCCCCCCCN(CCO)CCOCCO
InChI
InChI=1S/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26)20-23-28-24-22-27/h9-10,26-27H,2-8,11-24H2,1H3/b10-9-
InChIKey
XLQKQWFHQUWKPL-KTKRTIGZSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethyl-[(Z)-octadec-9-enyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

399.37125 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.37853 211.3
[M+Na]+ 422.36047 209.6
[M-H]- 398.36397 206.6
[M+NH4]+ 417.40507 219.4
[M+K]+ 438.33441 205.1
[M+H-H2O]+ 382.36851 202.7
[M+HCOO]- 444.36945 231.1
[M+CH3COO]- 458.38510 228.3
[M+Na-2H]- 420.34592 207.4
[M]+ 399.37070 219.5
[M]- 399.37180 219.5
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

patents stripe