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]+ 186.11248 135.4
[M+Na]+ 208.09442 138.9
[M-H]- 184.09792 139.2
[M+NH4]+ 203.13902 146.7
[M+K]+ 224.06836 142.1
[M+H-H2O]+ 168.10246 124.3
[M+HCOO]- 230.10340 152.1
[M+CH3COO]- 244.11905 181.0
[M+Na-2H]- 206.07987 137.6
[M]+ 185.10465 141.4
[M]- 185.10575 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.