CID 84061688

1782639-35-3

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)COCCC(=O)O
InChI
InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-6-4-10(8-14)9-18-7-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
JFDUWJUDDFELCU-UHFFFAOYSA-N
Compound name
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.164896 165.1
[M+Na]+ 296.146838 169.4
[M-H]- 272.150344 165.1
[M+NH4]+ 291.191443 181.0
[M+K]+ 312.120778 169.1
[M+H-H2O]+ 256.154880 159.1
[M+HCOO]- 318.155821 181.2
[M+CH3COO]- 332.171471 193.9
[M+Na-2H]- 294.132286 164.7
[M]+ 273.15707142 167.1
[M]- 273.15816858 167.1
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

No patent data available for this compound.