CID 927567

1-benzyl-2,3-dihydro-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C16H15NO
SMILES
C1CN(C2=C1C=C(C=C2)C=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2
InChIKey
FMKZOIZMBARGMS-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-dihydroindole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

237.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 153.7
[M+Na]+ 260.10459 162.0
[M-H]- 236.10809 159.9
[M+NH4]+ 255.14919 172.8
[M+K]+ 276.07853 156.9
[M+H-H2O]+ 220.11263 145.8
[M+HCOO]- 282.11357 175.8
[M+CH3COO]- 296.12922 166.4
[M+Na-2H]- 258.09004 158.5
[M]+ 237.11482 153.6
[M]- 237.11592 153.6
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