CID 6436612

Einecs 260-165-1

Structural Information

Molecular Formula
C20H35NO3
SMILES
CCC/C=C\CCCCCCCCCC1CC(=O)N(C1=O)CCO
InChI
InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(23)21(15-16-22)20(18)24/h4-5,18,22H,2-3,6-17H2,1H3/b5-4-
InChIKey
HKHVYVHBFIZLGP-PLNGDYQASA-N
Compound name
1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.2617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26898 188.1
[M+Na]+ 360.25092 191.7
[M-H]- 336.25442 187.0
[M+NH4]+ 355.29552 201.9
[M+K]+ 376.22486 186.5
[M+H-H2O]+ 320.25896 180.6
[M+HCOO]- 382.25990 205.1
[M+CH3COO]- 396.27555 211.6
[M+Na-2H]- 358.23637 183.9
[M]+ 337.26115 191.7
[M]- 337.26225 191.7
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.