CID 12436850

4-methyl-2-phenyl-1h-pyrrole

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=CNC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H11N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKey
YIAAMAHGPLMCJP-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

157.08914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 132.0
[M+Na]+ 180.07836 140.5
[M-H]- 156.08186 136.4
[M+NH4]+ 175.12296 152.8
[M+K]+ 196.05230 136.5
[M+H-H2O]+ 140.08640 125.4
[M+HCOO]- 202.08734 155.5
[M+CH3COO]- 216.10299 145.9
[M+Na-2H]- 178.06381 138.1
[M]+ 157.08859 129.9
[M]- 157.08969 129.9
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