CID 11971051

89229-91-4

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(CCO)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3
InChIKey
DBLCQDJUAPOYPD-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 141.9
[M+Na]+ 212.104588 150.2
[M-H]- 188.108094 142.7
[M+NH4]+ 207.149193 162.0
[M+K]+ 228.078528 145.8
[M+H-H2O]+ 172.112630 136.0
[M+HCOO]- 234.113571 162.5
[M+CH3COO]- 248.129221 178.9
[M+Na-2H]- 210.090036 147.2
[M]+ 189.11482142 141.8
[M]- 189.11591858 141.8
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