CID 260389

4771-50-0

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=C2C(=CC=C1)C(=CN2)C=O
InChI
InChI=1S/C10H9NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-6,11H,1H3
InChIKey
KTUFZHVVJBHGKZ-UHFFFAOYSA-N
Compound name
7-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
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 130.9
[M+Na]+ 182.05764 145.1
[M+NH4]+ 177.10224 140.1
[M+K]+ 198.03158 139.7
[M-H]- 158.06114 132.7
[M+Na-2H]- 180.04309 137.9
[M]+ 159.06787 133.4
[M]- 159.06897 133.4
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