CID 590225

4-hydroxy-2-methylindole

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1=CC2=C(N1)C=CC=C2O
InChI
InChI=1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5,10-11H,1H3
InChIKey
XBVSGEGNQZAQPM-UHFFFAOYSA-N
Compound name
2-methyl-1H-indol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

147.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 127.0
[M+Na]+ 170.057638 138.0
[M-H]- 146.061144 128.7
[M+NH4]+ 165.102243 149.3
[M+K]+ 186.031578 133.8
[M+H-H2O]+ 130.065680 121.9
[M+HCOO]- 192.066621 149.7
[M+CH3COO]- 206.082271 141.5
[M+Na-2H]- 168.043086 134.6
[M]+ 147.06787142 127.0
[M]- 147.06896858 127.0
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