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

217
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

literature stripe

Patent stripe

patents stripe