CID 60209993

Pcmpa

Structural Information

Molecular Formula
C16H25NO
SMILES
COCCCNC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H25NO/c1-18-14-8-13-17-16(11-6-3-7-12-16)15-9-4-2-5-10-15/h2,4-5,9-10,17H,3,6-8,11-14H2,1H3
InChIKey
OWOACIUDSBGLMN-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)-1-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

247.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.5
[M+Na]+ 270.182838 163.1
[M-H]- 246.186344 165.5
[M+NH4]+ 265.227443 178.7
[M+K]+ 286.156778 160.1
[M+H-H2O]+ 230.190880 152.7
[M+HCOO]- 292.191821 181.1
[M+CH3COO]- 306.207471 195.5
[M+Na-2H]- 268.168286 165.8
[M]+ 247.19307142 156.9
[M]- 247.19416858 156.9
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