CID 116489495

1700119-25-0

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2CCC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-7-14(9-15,11(16)17)10-5-4-6-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
WBVYMKVQHCFOIO-UHFFFAOYSA-N
Compound name
3-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 164.7
[M+Na]+ 292.15194 167.2
[M-H]- 268.15544 167.9
[M+NH4]+ 287.19654 176.0
[M+K]+ 308.12588 169.5
[M+H-H2O]+ 252.15998 154.9
[M+HCOO]- 314.16092 178.5
[M+CH3COO]- 328.17657 195.6
[M+Na-2H]- 290.13739 164.3
[M]+ 269.16217 171.6
[M]- 269.16327 171.6
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.