CID 90967

23693-19-8

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(CC1=C(C2=C(C=C1)OCO2)OC)N
InChI
InChI=1S/C11H15NO3/c1-7(12)5-8-3-4-9-11(10(8)13-2)15-6-14-9/h3-4,7H,5-6,12H2,1-2H3
InChIKey
OSJXZWMDUMAITM-UHFFFAOYSA-N
Compound name
1-(4-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

162
Patents

209.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.2
[M+Na]+ 232.094418 153.8
[M-H]- 208.097924 151.7
[M+NH4]+ 227.139023 165.0
[M+K]+ 248.068358 154.4
[M+H-H2O]+ 192.102460 140.8
[M+HCOO]- 254.103401 167.4
[M+CH3COO]- 268.119051 188.8
[M+Na-2H]- 230.079866 151.5
[M]+ 209.10465142 148.9
[M]- 209.10574858 148.9
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