CID 3040612

52664-16-1

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCC(C1(CCN(CC1)C2CCC3=CC=CC=C3C2)O)N
InChI
InChI=1S/C18H28N2O/c1-2-17(19)18(21)9-11-20(12-10-18)16-8-7-14-5-3-4-6-15(14)13-16/h3-6,16-17,21H,2,7-13,19H2,1H3
InChIKey
VXGFYNYJJBQWAR-UHFFFAOYSA-N
Compound name
4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 172.2
[M+Na]+ 311.20937 174.6
[M-H]- 287.21287 174.7
[M+NH4]+ 306.25397 187.6
[M+K]+ 327.18331 170.0
[M+H-H2O]+ 271.21741 163.7
[M+HCOO]- 333.21835 184.5
[M+CH3COO]- 347.23400 180.2
[M+Na-2H]- 309.19482 173.6
[M]+ 288.21960 163.1
[M]- 288.22070 163.1
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.