CID 21674241

1,7-dimethyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C2C(=CC=C1)C(=CN2C)C=O
InChI
InChI=1S/C11H11NO/c1-8-4-3-5-10-9(7-13)6-12(2)11(8)10/h3-7H,1-2H3
InChIKey
FWIFXCARKJCTGL-UHFFFAOYSA-N
Compound name
1,7-dimethylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

533
Patents

173.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 133.6
[M+Na]+ 196.07328 145.8
[M-H]- 172.07678 138.2
[M+NH4]+ 191.11788 156.5
[M+K]+ 212.04722 142.4
[M+H-H2O]+ 156.08132 128.0
[M+HCOO]- 218.08226 158.9
[M+CH3COO]- 232.09791 181.7
[M+Na-2H]- 194.05873 140.4
[M]+ 173.08351 137.7
[M]- 173.08461 137.7
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