CID 13447716

2-(4-phenylbuta-1,3-dien-1-yl)-1h-pyrrole

Structural Information

Molecular Formula
C14H13N
SMILES
C1=CC=C(C=C1)/C=C/C=C/C2=CC=CN2
InChI
InChI=1S/C14H13N/c1-2-7-13(8-3-1)9-4-5-10-14-11-6-12-15-14/h1-12,15H/b9-4+,10-5+
InChIKey
JVKNZYPZWBZGKZ-LUZURFALSA-N
Compound name
2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.1048 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11208 144.7
[M+Na]+ 218.09402 151.7
[M-H]- 194.09752 148.3
[M+NH4]+ 213.13862 163.6
[M+K]+ 234.06796 145.8
[M+H-H2O]+ 178.10206 137.3
[M+HCOO]- 240.10300 167.6
[M+CH3COO]- 254.11865 179.1
[M+Na-2H]- 216.07947 149.8
[M]+ 195.10425 141.7
[M]- 195.10535 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe