CID 119093347

3,5-dimethyl-1h-pyrrol-2-ol

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=CC(=C(N1)O)C
InChI
InChI=1S/C6H9NO/c1-4-3-5(2)7-6(4)8/h3,7-8H,1-2H3
InChIKey
PSOXKKWJPOGSLF-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1H-pyrrol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.4
[M+Na]+ 134.057628 130.0
[M-H]- 110.061134 120.8
[M+NH4]+ 129.102233 142.9
[M+K]+ 150.031568 127.7
[M+H-H2O]+ 94.065670 115.6
[M+HCOO]- 156.066611 142.6
[M+CH3COO]- 170.082261 163.9
[M+Na-2H]- 132.043076 125.5
[M]+ 111.06786142 118.8
[M]- 111.06895858 118.8
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.