CID 3954029

138808-79-4

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(CC1=CC2=C(C=C1O)OCO2)NC
InChI
InChI=1S/C11H15NO3/c1-7(12-2)3-8-4-10-11(5-9(8)13)15-6-14-10/h4-5,7,12-13H,3,6H2,1-2H3
InChIKey
RQQIIXFYTHWFKW-UHFFFAOYSA-N
Compound name
6-[2-(methylamino)propyl]-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.1
[M+Na]+ 232.09442 153.3
[M-H]- 208.09792 150.7
[M+NH4]+ 227.13902 164.4
[M+K]+ 248.06836 153.3
[M+H-H2O]+ 192.10246 140.8
[M+HCOO]- 254.10340 166.4
[M+CH3COO]- 268.11905 186.9
[M+Na-2H]- 230.07987 152.0
[M]+ 209.10465 147.9
[M]- 209.10575 147.9
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