CID 84081026

2-[1-(oxetan-3-yl)pyrrolidin-3-yl]acetic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CN(CC1CC(=O)O)C2COC2
InChI
InChI=1S/C9H15NO3/c11-9(12)3-7-1-2-10(4-7)8-5-13-6-8/h7-8H,1-6H2,(H,11,12)
InChIKey
CYFZUPXQXCITHO-UHFFFAOYSA-N
Compound name
2-[1-(oxetan-3-yl)pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 135.4
[M+Na]+ 208.094418 138.9
[M-H]- 184.097924 139.2
[M+NH4]+ 203.139023 146.7
[M+K]+ 224.068358 142.1
[M+H-H2O]+ 168.102460 124.3
[M+HCOO]- 230.103401 152.1
[M+CH3COO]- 244.119051 181.0
[M+Na-2H]- 206.079866 137.6
[M]+ 185.10465142 141.4
[M]- 185.10574858 141.4
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

No patent data available for this compound.