CID 3016409

1-butyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCCCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKey
LLPSQGIRADJCIU-UHFFFAOYSA-N
Compound name
1-butyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

185.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.0
[M+Na]+ 208.09442 147.8
[M-H]- 184.09792 141.6
[M+NH4]+ 203.13902 160.6
[M+K]+ 224.06836 146.3
[M+H-H2O]+ 168.10246 135.3
[M+HCOO]- 230.10340 160.5
[M+CH3COO]- 244.11905 179.6
[M+Na-2H]- 206.07987 141.8
[M]+ 185.10465 140.3
[M]- 185.10575 140.3
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