CID 3032233

2-(3,4-dimethoxyphenyl)propan-2-amine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C1=CC(=C(C=C1)OC)OC)N
InChI
InChI=1S/C11H17NO2/c1-11(2,12)8-5-6-9(13-3)10(7-8)14-4/h5-7H,12H2,1-4H3
InChIKey
VKDPBFJRGWKCTN-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

195.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 143.5
[M+Na]+ 218.115148 151.5
[M-H]- 194.118654 147.2
[M+NH4]+ 213.159753 163.1
[M+K]+ 234.089088 150.2
[M+H-H2O]+ 178.123190 138.0
[M+HCOO]- 240.124131 166.7
[M+CH3COO]- 254.139781 188.3
[M+Na-2H]- 216.100596 149.2
[M]+ 195.12538142 145.6
[M]- 195.12647858 145.6
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

patents stripe