CID 281818

22186-60-3

Structural Information

Molecular Formula
C6H9NO
SMILES
C1=CNC(=C1)CCO
InChI
InChI=1S/C6H9NO/c8-5-3-6-2-1-4-7-6/h1-2,4,7-8H,3,5H2
InChIKey
XBVPIPOORLGFGK-UHFFFAOYSA-N
Compound name
2-(1H-pyrrol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.3
[M+Na]+ 134.057628 129.0
[M-H]- 110.061134 120.9
[M+NH4]+ 129.102233 143.1
[M+K]+ 150.031568 126.8
[M+H-H2O]+ 94.065670 115.8
[M+HCOO]- 156.066611 143.4
[M+CH3COO]- 170.082261 161.7
[M+Na-2H]- 132.043076 127.7
[M]+ 111.06786142 118.9
[M]- 111.06895858 118.9
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