CID 54929142

501700-11-4

Structural Information

Molecular Formula
C14H23NO3
SMILES
CCCOC1=C(C=C(C=C1OC)CC(C)N)OC
InChI
InChI=1S/C14H23NO3/c1-5-6-18-14-12(16-3)8-11(7-10(2)15)9-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKey
KKMCHCCXGKYEKJ-UHFFFAOYSA-N
Compound name
1-(3,5-dimethoxy-4-propoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

253.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 160.4
[M+Na]+ 276.15702 167.2
[M-H]- 252.16052 163.6
[M+NH4]+ 271.20162 177.6
[M+K]+ 292.13096 165.9
[M+H-H2O]+ 236.16506 153.6
[M+HCOO]- 298.16600 183.3
[M+CH3COO]- 312.18165 201.1
[M+Na-2H]- 274.14247 161.8
[M]+ 253.16725 165.2
[M]- 253.16835 165.2
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

No patent data available for this compound.