CID 178244166

2-methyl-1-oxido-3,4-dihydro-2h-pyrrol-1-ium-4-ol

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1CC(C=[N+]1[O-])O
InChI
InChI=1S/C5H9NO2/c1-4-2-5(7)3-6(4)8/h3-5,7H,2H2,1H3
InChIKey
GGKGHTHQQCTTKZ-UHFFFAOYSA-N
Compound name
2-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.4
[M+Na]+ 138.052548 130.3
[M-H]- 114.056054 121.7
[M+NH4]+ 133.097153 143.3
[M+K]+ 154.026488 124.5
[M+H-H2O]+ 98.060590 121.6
[M+HCOO]- 160.061531 143.3
[M+CH3COO]- 174.077181 155.9
[M+Na-2H]- 136.037996 128.1
[M]+ 115.06278142 117.6
[M]- 115.06387858 117.6
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.