CID 3041182

53581-68-3

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(CCC1=C(C(=C(C=C1)OC)OC)OC)N
InChI
InChI=1S/C13H21NO3/c1-9(14)5-6-10-7-8-11(15-2)13(17-4)12(10)16-3/h7-9H,5-6,14H2,1-4H3
InChIKey
JZNQOQZDPWRYGP-UHFFFAOYSA-N
Compound name
4-(2,3,4-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 155.8
[M+Na]+ 262.14137 163.0
[M-H]- 238.14487 159.2
[M+NH4]+ 257.18597 173.6
[M+K]+ 278.11531 161.9
[M+H-H2O]+ 222.14941 149.2
[M+HCOO]- 284.15035 179.0
[M+CH3COO]- 298.16600 198.1
[M+Na-2H]- 260.12682 157.7
[M]+ 239.15160 160.2
[M]- 239.15270 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.