CID 51063851

1485748-35-3

Structural Information

Molecular Formula
C10H17NO3
SMILES
C1CC(N(C1)C2CCOCC2)C(=O)O
InChI
InChI=1S/C10H17NO3/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8/h8-9H,1-7H2,(H,12,13)
InChIKey
VPEJNVLGEJBYLH-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

199.12085 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.2
[M+Na]+ 222.11007 148.7
[M-H]- 198.11357 148.5
[M+NH4]+ 217.15467 162.1
[M+K]+ 238.08401 148.4
[M+H-H2O]+ 182.11811 138.4
[M+HCOO]- 244.11905 160.5
[M+CH3COO]- 258.13470 179.1
[M+Na-2H]- 220.09552 146.3
[M]+ 199.12030 139.1
[M]- 199.12140 139.1
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