CID 3041180

53581-67-2

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(CCC1=C(C=C(C=C1OC)OC)OC)N
InChI
InChI=1S/C13H21NO3/c1-9(14)5-6-11-12(16-3)7-10(15-2)8-13(11)17-4/h7-9H,5-6,14H2,1-4H3
InChIKey
XCOSLSXZEMZDEY-UHFFFAOYSA-N
Compound name
4-(2,4,6-trimethoxyphenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 155.8
[M+Na]+ 262.141368 163.0
[M-H]- 238.144874 159.2
[M+NH4]+ 257.185973 173.6
[M+K]+ 278.115308 161.9
[M+H-H2O]+ 222.149410 149.2
[M+HCOO]- 284.150351 179.0
[M+CH3COO]- 298.166001 198.1
[M+Na-2H]- 260.126816 157.7
[M]+ 239.15160142 160.2
[M]- 239.15269858 160.2
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.