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
2
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]+ 186.112476 141.0
[M+Na]+ 208.094418 147.8
[M-H]- 184.097924 141.6
[M+NH4]+ 203.139023 160.6
[M+K]+ 224.068358 146.3
[M+H-H2O]+ 168.102460 135.3
[M+HCOO]- 230.103401 160.5
[M+CH3COO]- 244.119051 179.6
[M+Na-2H]- 206.079866 141.8
[M]+ 185.10465142 140.3
[M]- 185.10574858 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