CID 16217432

(3r)-(-)-3-(1-methyl-1h-indol-3-yl)-1-butanol

Structural Information

Molecular Formula
C13H17NO
SMILES
C[C@H](CCO)C1=CN(C2=CC=CC=C21)C
InChI
InChI=1S/C13H17NO/c1-10(7-8-15)12-9-14(2)13-6-4-3-5-11(12)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1
InChIKey
WHQZINALYHALBY-SNVBAGLBSA-N
Compound name
(3R)-3-(1-methylindol-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.9
[M+Na]+ 226.12023 155.2
[M-H]- 202.12373 148.3
[M+NH4]+ 221.16483 166.5
[M+K]+ 242.09417 151.4
[M+H-H2O]+ 186.12827 139.8
[M+HCOO]- 248.12921 167.7
[M+CH3COO]- 262.14486 185.6
[M+Na-2H]- 224.10568 150.5
[M]+ 203.13046 148.5
[M]- 203.13156 148.5
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

No patent data available for this compound.