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]+ 184.096816 140.5
[M+Na]+ 206.078758 149.3
[M-H]- 182.082264 145.3
[M+NH4]+ 201.123363 155.3
[M+K]+ 222.052698 145.9
[M+H-H2O]+ 166.086800 134.4
[M+HCOO]- 228.087741 160.2
[M+CH3COO]- 242.103391 181.6
[M+Na-2H]- 204.064206 141.8
[M]+ 183.08899142 141.2
[M]- 183.09008858 141.2
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