CID 3042673

Rap 407

Structural Information

Molecular Formula
C18H31NO2
SMILES
CC(C)COC1=CC=CC=C1OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H31NO2/c1-14(2)13-21-18-10-8-7-9-17(18)20-12-11-19(15(3)4)16(5)6/h7-10,14-16H,11-13H2,1-6H3
InChIKey
VJMXBYMZCAXDNB-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-methylpropoxy)phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

293.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 176.8
[M+Na]+ 316.22469 179.7
[M-H]- 292.22819 180.6
[M+NH4]+ 311.26929 192.6
[M+K]+ 332.19863 179.5
[M+H-H2O]+ 276.23273 169.0
[M+HCOO]- 338.23367 197.3
[M+CH3COO]- 352.24932 214.5
[M+Na-2H]- 314.21014 175.2
[M]+ 293.23492 181.8
[M]- 293.23602 181.8
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

patents stripe