CID 1121197

124678-35-9

Structural Information

Molecular Formula
C14H15NO2
SMILES
CC1=CC(=C(N1C2=CC=CC=C2OC)C)C=O
InChI
InChI=1S/C14H15NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-9H,1-3H3
InChIKey
LJUKIOLDWAYBCI-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

229.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 149.6
[M+Na]+ 252.09950 160.2
[M-H]- 228.10300 156.2
[M+NH4]+ 247.14410 169.0
[M+K]+ 268.07344 156.9
[M+H-H2O]+ 212.10754 142.7
[M+HCOO]- 274.10848 174.2
[M+CH3COO]- 288.12413 192.4
[M+Na-2H]- 250.08495 152.5
[M]+ 229.10973 153.8
[M]- 229.11083 153.8
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

No patent data available for this compound.