CID 1283353

4-(2,5-dimethyl-1h-pyrrol-1-yl)phenol

Structural Information

Molecular Formula
C12H13NO
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)O)C
InChI
InChI=1S/C12H13NO/c1-9-3-4-10(2)13(9)11-5-7-12(14)8-6-11/h3-8,14H,1-2H3
InChIKey
GQGLLBKGZRMFGZ-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

187.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.4
[M+Na]+ 210.08894 149.3
[M-H]- 186.09244 144.5
[M+NH4]+ 205.13354 159.6
[M+K]+ 226.06288 145.6
[M+H-H2O]+ 170.09698 133.0
[M+HCOO]- 232.09792 162.8
[M+CH3COO]- 246.11357 181.4
[M+Na-2H]- 208.07439 143.5
[M]+ 187.09917 139.9
[M]- 187.10027 139.9
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