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]+ 246.14887 157.7
[M+Na]+ 268.13081 166.3
[M-H]- 244.13431 166.1
[M+NH4]+ 263.17541 179.1
[M+K]+ 284.10475 166.0
[M+H-H2O]+ 228.13885 153.0
[M+HCOO]- 290.13979 180.0
[M+CH3COO]- 304.15544 200.8
[M+Na-2H]- 266.11626 161.7
[M]+ 245.14104 163.1
[M]- 245.14214 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.