CID 135190

51003-81-7

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCCC1=CC2=CC3=C(C=C2C1N(C)C)OCO3
InChI
InChI=1S/C15H19NO2/c1-4-5-10-6-11-7-13-14(18-9-17-13)8-12(11)15(10)16(2)3/h6-8,15H,4-5,9H2,1-3H3
InChIKey
FFFVTTBAJGMAEI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-6-propyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

0
Patents

245.14159 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 157.7
[M+Na]+ 268.130808 166.3
[M-H]- 244.134314 166.1
[M+NH4]+ 263.175413 179.1
[M+K]+ 284.104748 166.0
[M+H-H2O]+ 228.138850 153.0
[M+HCOO]- 290.139791 180.0
[M+CH3COO]- 304.155441 200.8
[M+Na-2H]- 266.116256 161.7
[M]+ 245.14104142 163.1
[M]- 245.14213858 163.1
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.