CID 22136802

1-methyl-1h-indol-7-ol

Structural Information

Molecular Formula
C9H9NO
SMILES
CN1C=CC2=C1C(=CC=C2)O
InChI
InChI=1S/C9H9NO/c1-10-6-5-7-3-2-4-8(11)9(7)10/h2-6,11H,1H3
InChIKey
WXXOOVLYAHIFKW-UHFFFAOYSA-N
Compound name
1-methylindol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 126.4
[M+Na]+ 170.057638 137.8
[M-H]- 146.061144 129.5
[M+NH4]+ 165.102243 149.3
[M+K]+ 186.031578 134.5
[M+H-H2O]+ 130.065680 121.0
[M+HCOO]- 192.066621 150.6
[M+CH3COO]- 206.082271 141.6
[M+Na-2H]- 168.043086 134.5
[M]+ 147.06787142 128.2
[M]- 147.06896858 128.2
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