CID 428359

5h-indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCCCC1=CC2=CC3=C(C=C2C1N(C)C)OCO3
InChI
InChI=1S/C16H21NO2/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3/h7-9,16H,4-6,10H2,1-3H3
InChIKey
GDMBWXQVZUIAPI-UHFFFAOYSA-N
Compound name
6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

259.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 162.7
[M+Na]+ 282.146448 170.7
[M-H]- 258.149954 170.8
[M+NH4]+ 277.191053 183.4
[M+K]+ 298.120388 170.2
[M+H-H2O]+ 242.154490 157.7
[M+HCOO]- 304.155431 184.6
[M+CH3COO]- 318.171081 203.8
[M+Na-2H]- 280.131896 166.0
[M]+ 259.15668142 168.4
[M]- 259.15777858 168.4
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.