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

55
Patents

147.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 128.6
[M+Na]+ 170.05764 137.2
[M-H]- 146.06114 130.5
[M+NH4]+ 165.10224 150.9
[M+K]+ 186.03158 133.8
[M+H-H2O]+ 130.06568 122.9
[M+HCOO]- 192.06662 150.1
[M+CH3COO]- 206.08227 171.3
[M+Na-2H]- 168.04309 135.3
[M]+ 147.06787 126.4
[M]- 147.06897 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