CID 57346003

3-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}propanoic acid

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

20
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 158.1
[M+Na]+ 266.13628 163.0
[M-H]- 242.13978 158.4
[M+NH4]+ 261.18088 175.4
[M+K]+ 282.11022 162.4
[M+H-H2O]+ 226.14432 152.5
[M+HCOO]- 288.14526 174.4
[M+CH3COO]- 302.16091 188.8
[M+Na-2H]- 264.12173 158.0
[M]+ 243.14651 158.3
[M]- 243.14761 158.3
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