CID 272426

1-(4-methylphenyl)-1h-pyrrole

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=CC=C(C=C1)N2C=CC=C2
InChI
InChI=1S/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3
InChIKey
VYUNLDVEMSMJNP-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

325
Patents

157.08914 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.096416 131.4
[M+Na]+ 180.078358 140.4
[M-H]- 156.081864 137.2
[M+NH4]+ 175.122963 152.9
[M+K]+ 196.052298 137.3
[M+H-H2O]+ 140.086400 124.5
[M+HCOO]- 202.087341 156.4
[M+CH3COO]- 216.102991 146.0
[M+Na-2H]- 178.063806 138.0
[M]+ 157.08859142 131.2
[M]- 157.08968858 131.2
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