CID 4962327

1-(2,3-dihydro-1h-inden-5-yl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C=O
InChI
InChI=1S/C16H17NO/c1-11-8-15(10-18)12(2)17(11)16-7-6-13-4-3-5-14(13)9-16/h6-10H,3-5H2,1-2H3
InChIKey
OMLYKAWORXAFAT-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.13101 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 155.6
[M+Na]+ 262.12023 169.0
[M+NH4]+ 257.16483 165.0
[M+K]+ 278.09417 164.7
[M-H]- 238.12373 159.5
[M+Na-2H]- 260.10568 161.7
[M]+ 239.13046 158.6
[M]- 239.13156 158.6
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