CID 3051164

67293-51-0

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCCCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C18H31NO3/c1-5-6-7-8-9-10-15(19)11-14-12-16(20-2)18(22-4)17(13-14)21-3/h12-13,15H,5-11,19H2,1-4H3
InChIKey
UKLPFTJPSYHWML-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)nonan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 178.9
[M+Na]+ 332.21962 183.9
[M-H]- 308.22312 181.3
[M+NH4]+ 327.26422 193.8
[M+K]+ 348.19356 181.6
[M+H-H2O]+ 292.22766 171.2
[M+HCOO]- 354.22860 200.4
[M+CH3COO]- 368.24425 213.1
[M+Na-2H]- 330.20507 178.1
[M]+ 309.22985 185.1
[M]- 309.23095 185.1
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.