CID 92169

1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC1(CC(C(N1O)(C)C)C(=O)O)C
InChI
InChI=1S/C9H17NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6,13H,5H2,1-4H3,(H,11,12)
InChIKey
CLKPVQZFNYXFCY-UHFFFAOYSA-N
Compound name
1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

2037
Patents

187.12085 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 137.5
[M+Na]+ 210.110068 146.5
[M-H]- 186.113574 137.9
[M+NH4]+ 205.154673 161.0
[M+K]+ 226.084008 145.2
[M+H-H2O]+ 170.118110 134.9
[M+HCOO]- 232.119051 155.5
[M+CH3COO]- 246.134701 178.6
[M+Na-2H]- 208.095516 140.4
[M]+ 187.12030142 137.0
[M]- 187.12139858 137.0
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.