CID 3079967

4-piperidinamine, 1-(2-ethoxyethyl)-3-methyl-n-phenyl-, dihydrochloride, cis-

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCOCCN1C[C@@H]([C@@H](C(C1)C2=CC=CC=C2)N)C
InChI
InChI=1S/C16H26N2O/c1-3-19-10-9-18-11-13(2)16(17)15(12-18)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/t13-,15?,16-/m0/s1
InChIKey
GDOIXHZSZSEPJX-VFDRBLODSA-N
Compound name
(3S,4S)-1-(2-ethoxyethyl)-3-methyl-5-phenylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 165.5
[M+Na]+ 285.19372 170.1
[M-H]- 261.19722 169.3
[M+NH4]+ 280.23832 180.4
[M+K]+ 301.16766 166.3
[M+H-H2O]+ 245.20176 156.9
[M+HCOO]- 307.20270 184.1
[M+CH3COO]- 321.21835 201.4
[M+Na-2H]- 283.17917 166.7
[M]+ 262.20395 162.4
[M]- 262.20505 162.4
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.