CID 19384855

2-[(e)-2-(4-methoxyphenyl)ethenyl]-1h-pyrrole

Structural Information

Molecular Formula
C13H13NO
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC=CN2
InChI
InChI=1S/C13H13NO/c1-15-13-8-5-11(6-9-13)4-7-12-3-2-10-14-12/h2-10,14H,1H3/b7-4+
InChIKey
AVQPFZCDRFCTQL-QPJJXVBHSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.09972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 144.0
[M+Na]+ 222.08894 151.9
[M-H]- 198.09244 148.1
[M+NH4]+ 217.13354 162.9
[M+K]+ 238.06288 147.3
[M+H-H2O]+ 182.09698 136.8
[M+HCOO]- 244.09792 167.2
[M+CH3COO]- 258.11357 180.6
[M+Na-2H]- 220.07439 148.9
[M]+ 199.09917 143.2
[M]- 199.10027 143.2
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