CID 36741

J.l. 1297

Structural Information

Molecular Formula
C16H25NO
SMILES
CN(C)CCOC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H25NO/c1-17(2)13-14-18-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3
InChIKey
YEKRATOGFMBDHG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-phenylcyclohexyl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.8
[M+Na]+ 270.182838 163.6
[M-H]- 246.186344 167.4
[M+NH4]+ 265.227443 179.7
[M+K]+ 286.156778 162.0
[M+H-H2O]+ 230.190880 152.9
[M+HCOO]- 292.191821 182.0
[M+CH3COO]- 306.207471 198.9
[M+Na-2H]- 268.168286 165.3
[M]+ 247.19307142 158.5
[M]- 247.19416858 158.5
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.