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]+ 240.15943 155.4
[M+Na]+ 262.14137 166.3
[M+NH4]+ 257.18597 162.4
[M+K]+ 278.11531 160.9
[M-H]- 238.14487 157.1
[M+Na-2H]- 260.12682 159.9
[M]+ 239.15160 157.3
[M]- 239.15270 157.3
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.