CID 13795005

1h-pyrrol-2-ol

Structural Information

Molecular Formula
C4H5NO
SMILES
C1=CNC(=C1)O
InChI
InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H
InChIKey
WLODWTPNUWYZKN-UHFFFAOYSA-N
Compound name
1H-pyrrol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4552
Patents

83.03712 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 112.0
[M+Na]+ 106.026338 120.6
[M-H]- 82.029844 112.0
[M+NH4]+ 101.070943 135.0
[M+K]+ 122.000278 118.9
[M+H-H2O]+ 66.034380 107.0
[M+HCOO]- 128.035321 134.9
[M+CH3COO]- 142.050971 155.6
[M+Na-2H]- 104.011786 119.6
[M]+ 83.03657142 109.0
[M]- 83.03766858 109.0
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