CID 63140943

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

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-5-12(9(14)15)6-7-13(8-12)10(16)17-11(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKey
PZMPMVBJNRCKRV-UHFFFAOYSA-N
Compound name
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.2
[M+Na]+ 266.13628 162.1
[M-H]- 242.13978 156.9
[M+NH4]+ 261.18088 175.6
[M+K]+ 282.11022 161.8
[M+H-H2O]+ 226.14432 152.0
[M+HCOO]- 288.14526 172.6
[M+CH3COO]- 302.16091 188.3
[M+Na-2H]- 264.12173 157.8
[M]+ 243.14651 156.9
[M]- 243.14761 156.9
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