CID 10975438

1-(2-hydroxyethyl)pyrrole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

763
Patents

111.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.5
[M+Na]+ 134.05763 128.7
[M-H]- 110.06113 121.5
[M+NH4]+ 129.10223 143.1
[M+K]+ 150.03157 127.4
[M+H-H2O]+ 94.065670 114.8
[M+HCOO]- 156.06661 144.2
[M+CH3COO]- 170.08226 164.4
[M+Na-2H]- 132.04308 127.5
[M]+ 111.06786 120.0
[M]- 111.06896 120.0
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

patents stripe