CID 57346003

885271-17-0

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CCC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-6-9(8-13)4-5-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
MBHLTXJJVQMUHJ-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.3
[M+Na]+ 266.13628 163.5
[M+NH4]+ 261.18088 162.0
[M+K]+ 282.11022 163.0
[M-H]- 242.13978 154.2
[M+Na-2H]- 264.12173 157.4
[M]+ 243.14651 156.7
[M]- 243.14761 156.7
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