CID 599478

[4-(1h-pyrrol-1-yl)phenyl]methanol

Structural Information

Molecular Formula
C11H11NO
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2
InChIKey
LQQQPLUFBVYLRE-UHFFFAOYSA-N
Compound name
(4-pyrrol-1-ylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

173.08406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 135.4
[M+Na]+ 196.073278 143.8
[M-H]- 172.076784 139.8
[M+NH4]+ 191.117883 155.4
[M+K]+ 212.047218 140.4
[M+H-H2O]+ 156.081320 128.6
[M+HCOO]- 218.082261 159.1
[M+CH3COO]- 232.097911 176.1
[M+Na-2H]- 194.058726 141.4
[M]+ 173.08351142 134.7
[M]- 173.08460858 134.7
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