CID 3056378

73758-45-9

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(CCN)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C12H19NO2/c1-9(6-7-13)10-4-5-11(14-2)12(8-10)15-3/h4-5,8-9H,6-7,13H2,1-3H3
InChIKey
XZGIXSLHJDKMKM-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.6
[M+Na]+ 232.13081 155.4
[M-H]- 208.13431 151.8
[M+NH4]+ 227.17541 167.4
[M+K]+ 248.10475 153.9
[M+H-H2O]+ 192.13885 142.3
[M+HCOO]- 254.13979 172.0
[M+CH3COO]- 268.15544 191.8
[M+Na-2H]- 230.11626 151.7
[M]+ 209.14104 150.9
[M]- 209.14214 150.9
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