CID 82406237

2731006-64-5

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CCN(C(C1)C(=O)O)C2COC2
InChI
InChI=1S/C9H15NO3/c11-9(12)8-3-1-2-4-10(8)7-5-13-6-7/h7-8H,1-6H2,(H,11,12)
InChIKey
VTASPJLHXNGZQQ-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 135.6
[M+Na]+ 208.09442 138.5
[M-H]- 184.09792 139.0
[M+NH4]+ 203.13902 145.1
[M+K]+ 224.06836 141.9
[M+H-H2O]+ 168.10246 123.6
[M+HCOO]- 230.10340 150.3
[M+CH3COO]- 244.11905 181.4
[M+Na-2H]- 206.07987 139.2
[M]+ 185.10465 139.6
[M]- 185.10575 139.6
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.