CID 84078817

1783330-14-2

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CC(C)(C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-7-6-10(9-15)8-14(4,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKey
DBBGGDOXTPSDOQ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 165.5
[M+Na]+ 294.16756 170.0
[M-H]- 270.17106 165.8
[M+NH4]+ 289.21216 181.8
[M+K]+ 310.14150 169.5
[M+H-H2O]+ 254.17560 160.5
[M+HCOO]- 316.17654 179.6
[M+CH3COO]- 330.19219 195.2
[M+Na-2H]- 292.15301 165.8
[M]+ 271.17779 166.0
[M]- 271.17889 166.0
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.