CID 53919010

1-methyl-5-(pyridin-3-yl)-1h-pyrrol-2-ol

Structural Information

Molecular Formula
C10H10N2O
SMILES
CN1C(=CC=C1O)C2=CN=CC=C2
InChI
InChI=1S/C10H10N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-7,13H,1H3
InChIKey
IJCSPQRGKWIQHZ-UHFFFAOYSA-N
Compound name
1-methyl-5-pyridin-3-ylpyrrol-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 135.2
[M+Na]+ 197.068538 145.0
[M-H]- 173.072044 138.7
[M+NH4]+ 192.113143 154.1
[M+K]+ 213.042478 141.6
[M+H-H2O]+ 157.076580 127.8
[M+HCOO]- 219.077521 157.9
[M+CH3COO]- 233.093171 148.9
[M+Na-2H]- 195.053986 140.9
[M]+ 174.07877142 135.0
[M]- 174.07986858 135.0
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

No patent data available for this compound.