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

79
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 126.4
[M+Na]+ 170.05764 137.8
[M-H]- 146.06114 129.5
[M+NH4]+ 165.10224 149.3
[M+K]+ 186.03158 134.5
[M+H-H2O]+ 130.06568 121.0
[M+HCOO]- 192.06662 150.6
[M+CH3COO]- 206.08227 141.6
[M+Na-2H]- 168.04309 134.5
[M]+ 147.06787 128.2
[M]- 147.06897 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