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

21
Patents

199.12085 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.2
[M+Na]+ 222.110068 148.7
[M-H]- 198.113574 148.5
[M+NH4]+ 217.154673 162.1
[M+K]+ 238.084008 148.4
[M+H-H2O]+ 182.118110 138.4
[M+HCOO]- 244.119051 160.5
[M+CH3COO]- 258.134701 179.1
[M+Na-2H]- 220.095516 146.3
[M]+ 199.12030142 139.1
[M]- 199.12139858 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