CID 12395069

2,3-dimethyl-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C(NC2=C1C=C(C=C2)C=O)C
InChI
InChI=1S/C11H11NO/c1-7-8(2)12-11-4-3-9(6-13)5-10(7)11/h3-6,12H,1-2H3
InChIKey
DSPUJWRECLSVSG-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1H-indole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

173.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.4
[M+Na]+ 196.073278 146.1
[M-H]- 172.076784 137.6
[M+NH4]+ 191.117883 156.5
[M+K]+ 212.047218 141.8
[M+H-H2O]+ 156.081320 129.0
[M+HCOO]- 218.082261 158.1
[M+CH3COO]- 232.097911 179.1
[M+Na-2H]- 194.058726 140.7
[M]+ 173.08351142 136.6
[M]- 173.08460858 136.6
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