CID 11768572

2-(1-methyl-1h-pyrrol-2-yl)ethanol

Structural Information

Molecular Formula
C7H11NO
SMILES
CN1C=CC=C1CCO
InChI
InChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h2-3,5,9H,4,6H2,1H3
InChIKey
OWUIUYMLDSTENT-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.1
[M+Na]+ 148.07328 136.6
[M+NH4]+ 143.11788 133.6
[M+K]+ 164.04722 132.5
[M-H]- 124.07678 125.8
[M+Na-2H]- 146.05873 130.8
[M]+ 125.08351 126.8
[M]- 125.08461 126.8
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