CID 3047900

Lu 3-034

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)O)C
InChI
InChI=1S/C15H23NO2/c1-14(2)12-8-5-6-9-13(12)15(17,18-14)10-7-11-16(3)4/h5-6,8-9,17H,7,10-11H2,1-4H3
InChIKey
AAUZJPHSKJSFFC-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 157.3
[M+Na]+ 272.162098 165.2
[M-H]- 248.165604 162.7
[M+NH4]+ 267.206703 180.3
[M+K]+ 288.136038 164.1
[M+H-H2O]+ 232.170140 152.7
[M+HCOO]- 294.171081 178.6
[M+CH3COO]- 308.186731 198.4
[M+Na-2H]- 270.147546 163.3
[M]+ 249.17233142 161.1
[M]- 249.17342858 161.1
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.