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

13
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 140.8
[M+Na]+ 210.08894 155.1
[M+NH4]+ 205.13354 149.8
[M+K]+ 226.06288 149.8
[M-H]- 186.09244 144.4
[M+Na-2H]- 208.07439 149.0
[M]+ 187.09917 143.9
[M]- 187.10027 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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