CID 1481333

Indoline-7-carboxaldehyde

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CNC2=C1C=CC=C2C=O
InChI
InChI=1S/C9H9NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-3,6,10H,4-5H2
InChIKey
SJROBXXAXJAJOG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

147.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.6
[M+Na]+ 170.057638 137.2
[M-H]- 146.061144 130.5
[M+NH4]+ 165.102243 150.9
[M+K]+ 186.031578 133.8
[M+H-H2O]+ 130.065680 122.9
[M+HCOO]- 192.066621 150.1
[M+CH3COO]- 206.082271 171.3
[M+Na-2H]- 168.043086 135.3
[M]+ 147.06787142 126.4
[M]- 147.06896858 126.4
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