CID 57377014

30701-18-9

Structural Information

Molecular Formula
C22H37NO4
SMILES
CCCCCCCCCCC=CC1CC(=O)N(C1=O)CCCCCC(=O)O
InChI
InChI=1S/C22H37NO4/c1-2-3-4-5-6-7-8-9-10-12-15-19-18-20(24)23(22(19)27)17-14-11-13-16-21(25)26/h12,15,19H,2-11,13-14,16-18H2,1H3,(H,25,26)
InChIKey
BNIADCVCSFJMII-UHFFFAOYSA-N
Compound name
6-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.27225 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.27953 198.3
[M+Na]+ 402.26147 201.0
[M-H]- 378.26497 196.9
[M+NH4]+ 397.30607 210.2
[M+K]+ 418.23541 195.7
[M+H-H2O]+ 362.26951 190.6
[M+HCOO]- 424.27045 214.1
[M+CH3COO]- 438.28610 219.6
[M+Na-2H]- 400.24692 192.1
[M]+ 379.27170 202.8
[M]- 379.27280 202.8
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.