CID 137942835

2287343-33-1

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(C(CCN1C(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-6-8(9(14)15)12(13,4)5/h8H,6-7H2,1-5H3,(H,14,15)
InChIKey
MSNBELPTAHMHJF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 154.7
[M+Na]+ 266.136278 161.5
[M-H]- 242.139784 155.7
[M+NH4]+ 261.180883 174.4
[M+K]+ 282.110218 161.2
[M+H-H2O]+ 226.144320 150.9
[M+HCOO]- 288.145261 171.0
[M+CH3COO]- 302.160911 189.6
[M+Na-2H]- 264.121726 155.8
[M]+ 243.14651142 155.8
[M]- 243.14760858 155.8
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.