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]+ 274.16490 165.1
[M+Na]+ 296.14684 169.4
[M-H]- 272.15034 165.1
[M+NH4]+ 291.19144 181.0
[M+K]+ 312.12078 169.1
[M+H-H2O]+ 256.15488 159.1
[M+HCOO]- 318.15582 181.2
[M+CH3COO]- 332.17147 193.9
[M+Na-2H]- 294.13229 164.7
[M]+ 273.15707 167.1
[M]- 273.15817 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.