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]+ 230.117556 149.6
[M+Na]+ 252.099498 160.2
[M-H]- 228.103004 156.2
[M+NH4]+ 247.144103 169.0
[M+K]+ 268.073438 156.9
[M+H-H2O]+ 212.107540 142.7
[M+HCOO]- 274.108481 174.2
[M+CH3COO]- 288.124131 192.4
[M+Na-2H]- 250.084946 152.5
[M]+ 229.10973142 153.8
[M]- 229.11082858 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.