CID 43100173

1036555-01-7

Structural Information

Molecular Formula
C18H31NO2
SMILES
CC(C)CCC(C)NC(C)CC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C18H31NO2/c1-13(2)7-8-14(3)19-15(4)11-16-9-10-17(20-5)18(12-16)21-6/h9-10,12-15,19H,7-8,11H2,1-6H3
InChIKey
PJINEKNYUXUJSA-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-5-methylhexan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

293.23547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 176.4
[M+Na]+ 316.22469 180.1
[M-H]- 292.22819 179.1
[M+NH4]+ 311.26929 191.8
[M+K]+ 332.19863 178.5
[M+H-H2O]+ 276.23273 169.0
[M+HCOO]- 338.23367 196.4
[M+CH3COO]- 352.24932 212.2
[M+Na-2H]- 314.21014 174.8
[M]+ 293.23492 180.6
[M]- 293.23602 180.6
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.