CID 73166

5416-80-8

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=C(C2=CC=CC=C2N1)C=O
InChI
InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3
InChIKey
CYZIVXOEJNAIBS-UHFFFAOYSA-N
Compound name
2-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1074
Patents

159.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.0
[M+Na]+ 182.057638 141.3
[M-H]- 158.061144 133.0
[M+NH4]+ 177.102243 152.4
[M+K]+ 198.031578 137.2
[M+H-H2O]+ 142.065680 124.5
[M+HCOO]- 204.066621 154.1
[M+CH3COO]- 218.082271 174.9
[M+Na-2H]- 180.043086 137.5
[M]+ 159.06787142 131.5
[M]- 159.06896858 131.5
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