CID 75079

1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC1(C=C(C(N1O)(C)C)C(=O)O)C
InChI
InChI=1S/C9H15NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h5,13H,1-4H3,(H,11,12)
InChIKey
SADYUZSTFFUBBP-UHFFFAOYSA-N
Compound name
1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

476
Patents

185.1052 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 135.5
[M+Na]+ 208.094418 145.5
[M-H]- 184.097924 136.3
[M+NH4]+ 203.139023 159.1
[M+K]+ 224.068358 144.0
[M+H-H2O]+ 168.102460 132.8
[M+HCOO]- 230.103401 154.9
[M+CH3COO]- 244.119051 178.2
[M+Na-2H]- 206.079866 139.4
[M]+ 185.10465142 136.5
[M]- 185.10574858 136.5
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