CID 267164

1-methyl-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C10H9NO
SMILES
CN1C2=CC=CC=C2C=C1C=O
InChI
InChI=1S/C10H9NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChIKey
IBNGPIOSWCMJGG-UHFFFAOYSA-N
Compound name
1-methylindole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

609
Patents

159.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.3
[M+Na]+ 182.05764 145.2
[M+NH4]+ 177.10224 139.9
[M+K]+ 198.03158 139.5
[M-H]- 158.06114 132.7
[M+Na-2H]- 180.04309 138.0
[M]+ 159.06787 133.2
[M]- 159.06897 133.2
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