CID 87894

1-methyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H9NO
SMILES
CN1C=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKey
KXYBYRKRRGSZCX-UHFFFAOYSA-N
Compound name
1-methylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1515
Patents

159.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 129.3
[M+Na]+ 182.05764 141.0
[M-H]- 158.06114 133.7
[M+NH4]+ 177.10224 152.5
[M+K]+ 198.03158 137.9
[M+H-H2O]+ 142.06568 123.6
[M+HCOO]- 204.06662 154.9
[M+CH3COO]- 218.08227 177.5
[M+Na-2H]- 180.04309 137.3
[M]+ 159.06787 132.7
[M]- 159.06897 132.7
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