CID 71773399

1-[(tert-butoxy)carbonyl]-2-ethylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCC1C(CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-5-9-8(10(14)15)6-7-13(9)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
DCNSLQDWJVZTBS-UHFFFAOYSA-N
Compound name
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.0
[M+Na]+ 266.13628 162.9
[M-H]- 242.13978 157.7
[M+NH4]+ 261.18088 174.6
[M+K]+ 282.11022 162.3
[M+H-H2O]+ 226.14432 151.8
[M+HCOO]- 288.14526 173.3
[M+CH3COO]- 302.16091 190.0
[M+Na-2H]- 264.12173 156.4
[M]+ 243.14651 157.7
[M]- 243.14761 157.7
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

No patent data available for this compound.