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

literature stripe

Patent stripe

patents stripe