CID 11253328

175591-22-7

Structural Information

Molecular Formula
C15H25NO
SMILES
CC[C@@H](C1=CC(=CC=C1)OC)[C@@H](C)CN(C)C
InChI
InChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3/t12-,15+/m0/s1
InChIKey
JKVBTSJLQLSTHJ-SWLSCSKDSA-N
Compound name
(2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

235.19362 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 159.4
[M+Na]+ 258.18284 163.9
[M-H]- 234.18634 163.8
[M+NH4]+ 253.22744 177.7
[M+K]+ 274.15678 163.4
[M+H-H2O]+ 218.19088 152.4
[M+HCOO]- 280.19182 181.7
[M+CH3COO]- 294.20747 202.7
[M+Na-2H]- 256.16829 160.6
[M]+ 235.19307 162.5
[M]- 235.19417 162.5
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.