CID 83851124

1780344-75-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1CC(CN1C(=O)OC(C)(C)C)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-8-5-9(6-10(14)15)7-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
XKBYUNHRBFIONS-UHFFFAOYSA-N
Compound name
2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic 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 157.0
[M+Na]+ 266.136278 162.9
[M-H]- 242.139784 157.7
[M+NH4]+ 261.180883 174.6
[M+K]+ 282.110218 162.3
[M+H-H2O]+ 226.144320 151.8
[M+HCOO]- 288.145261 173.3
[M+CH3COO]- 302.160911 190.0
[M+Na-2H]- 264.121726 156.4
[M]+ 243.14651142 157.7
[M]- 243.14760858 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.