CID 4777902

4771-49-7

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC2=C(C=C1)C(=CN2)C=O
InChI
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-12)5-11-10(9)4-7/h2-6,11H,1H3
InChIKey
LZERQSJGPXFAKB-UHFFFAOYSA-N
Compound name
6-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
Patents

159.06842 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.0
[M+Na]+ 182.05764 141.3
[M-H]- 158.06114 133.0
[M+NH4]+ 177.10224 152.4
[M+K]+ 198.03158 137.2
[M+H-H2O]+ 142.06568 124.5
[M+HCOO]- 204.06662 154.1
[M+CH3COO]- 218.08227 174.9
[M+Na-2H]- 180.04309 137.5
[M]+ 159.06787 131.5
[M]- 159.06897 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.