CID 12643579

3-(2-methyl-1h-indol-3-yl)propanal

Structural Information

Molecular Formula
C12H13NO
SMILES
CC1=C(C2=CC=CC=C2N1)CCC=O
InChI
InChI=1S/C12H13NO/c1-9-10(6-4-8-14)11-5-2-3-7-12(11)13-9/h2-3,5,7-8,13H,4,6H2,1H3
InChIKey
WTLVNHYUIHOQEP-UHFFFAOYSA-N
Compound name
3-(2-methyl-1H-indol-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.5
[M+Na]+ 210.08894 149.9
[M-H]- 186.09244 142.1
[M+NH4]+ 205.13354 160.7
[M+K]+ 226.06288 145.3
[M+H-H2O]+ 170.09698 133.6
[M+HCOO]- 232.09792 162.9
[M+CH3COO]- 246.11357 180.9
[M+Na-2H]- 208.07439 145.9
[M]+ 187.09917 141.7
[M]- 187.10027 141.7
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

patents stripe