CID 17608739

(1-methyl-1h-indol-4-yl)methanol

Structural Information

Molecular Formula
C10H11NO
SMILES
CN1C=CC2=C(C=CC=C21)CO
InChI
InChI=1S/C10H11NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-6,12H,7H2,1H3
InChIKey
HRDMALIGWIPQLM-UHFFFAOYSA-N
Compound name
(1-methylindol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

161.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.1
[M+Na]+ 184.07328 142.1
[M-H]- 160.07678 134.1
[M+NH4]+ 179.11788 153.5
[M+K]+ 200.04722 138.6
[M+H-H2O]+ 144.08132 125.6
[M+HCOO]- 206.08226 155.0
[M+CH3COO]- 220.09791 175.8
[M+Na-2H]- 182.05873 138.7
[M]+ 161.08351 133.3
[M]- 161.08461 133.3
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