CID 16784378

1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1CC1CN2CC(CC2=O)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-8-3-7(9(12)13)5-10(8)4-6-1-2-6/h6-7H,1-5H2,(H,12,13)
InChIKey
ZYOBEVSXRVFHEX-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 141.8
[M+Na]+ 206.07876 152.1
[M+NH4]+ 201.12336 149.2
[M+K]+ 222.05270 151.0
[M-H]- 182.08226 148.9
[M+Na-2H]- 204.06421 147.2
[M]+ 183.08899 146.0
[M]- 183.09009 146.0
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