CID 414564

37386-15-5

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CCN(C1)CC(=O)O
InChI
InChI=1S/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9)
InChIKey
IPXNXMNCBXHYLQ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1437
Patents

129.07898 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.2
[M+Na]+ 152.068198 133.2
[M-H]- 128.071704 127.5
[M+NH4]+ 147.112803 148.6
[M+K]+ 168.042138 132.7
[M+H-H2O]+ 112.076240 121.4
[M+HCOO]- 174.077181 147.3
[M+CH3COO]- 188.092831 167.0
[M+Na-2H]- 150.053646 130.8
[M]+ 129.07843142 123.9
[M]- 129.07952858 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe