CID 10824137

3-[(2s)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]propanoic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKey
YERVFXLPVTWCHS-VIFPVBQESA-N
Compound name
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 158.1
[M+Na]+ 266.136278 163.0
[M-H]- 242.139784 158.4
[M+NH4]+ 261.180883 175.4
[M+K]+ 282.110218 162.4
[M+H-H2O]+ 226.144320 152.5
[M+HCOO]- 288.145261 174.4
[M+CH3COO]- 302.160911 188.8
[M+Na-2H]- 264.121726 158.0
[M]+ 243.14651142 158.3
[M]- 243.14760858 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