CID 13872

5-methoxyindole

Structural Information

Molecular Formula
C9H9NO
SMILES
COC1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKey
DWAQDRSOVMLGRQ-UHFFFAOYSA-N
Compound name
5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

4342
Patents

147.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 126.6
[M+Na]+ 170.057638 137.0
[M-H]- 146.061144 129.3
[M+NH4]+ 165.102243 149.2
[M+K]+ 186.031578 133.8
[M+H-H2O]+ 130.065680 120.9
[M+HCOO]- 192.066621 150.8
[M+CH3COO]- 206.082271 141.4
[M+Na-2H]- 168.043086 135.4
[M]+ 147.06787142 128.0
[M]- 147.06896858 128.0
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