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

27
Patents

195.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.5
[M+Na]+ 218.11515 151.5
[M-H]- 194.11865 147.2
[M+NH4]+ 213.15975 163.1
[M+K]+ 234.08909 150.2
[M+H-H2O]+ 178.12319 138.0
[M+HCOO]- 240.12413 166.7
[M+CH3COO]- 254.13978 188.3
[M+Na-2H]- 216.10060 149.2
[M]+ 195.12538 145.6
[M]- 195.12648 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