CID 3079305

125080-82-2

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCOCCN1CC[C@H]([C@H](C1C2=CC=CC=C2)C)N
InChI
InChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-15(17)13(2)16(18)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/t13-,15-,16?/m1/s1
InChIKey
YWENPTPCTWCPKC-CWSLVUQWSA-N
Compound name
(3R,4R)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 165.4
[M+Na]+ 285.19372 177.1
[M+NH4]+ 280.23832 173.5
[M+K]+ 301.16766 169.4
[M-H]- 261.19722 169.8
[M+Na-2H]- 283.17917 171.5
[M]+ 262.20395 168.2
[M]- 262.20505 168.2
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.