CID 3023563

1-decyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C15H27NO3
SMILES
CCCCCCCCCCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15(18)19)11-14(16)17/h13H,2-12H2,1H3,(H,18,19)
InChIKey
GABHSCSSTHISHK-UHFFFAOYSA-N
Compound name
1-decyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

269.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.206376 168.3
[M+Na]+ 292.188318 172.5
[M-H]- 268.191824 167.7
[M+NH4]+ 287.232923 184.5
[M+K]+ 308.162258 169.5
[M+H-H2O]+ 252.196360 161.4
[M+HCOO]- 314.197301 185.8
[M+CH3COO]- 328.212951 197.7
[M+Na-2H]- 290.173766 166.0
[M]+ 269.19855142 169.8
[M]- 269.19964858 169.8
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

patents stripe