CID 24842152

102233-22-7

Structural Information

Molecular Formula
C18H28N2O2
SMILES
COCC1CN(CCN1CCO)C2=CC=CC3=C2CCCC3
InChI
InChI=1S/C18H28N2O2/c1-22-14-16-13-20(10-9-19(16)11-12-21)18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8,16,21H,2-3,5,7,9-14H2,1H3
InChIKey
WKBMSBJGLVURGV-UHFFFAOYSA-N
Compound name
2-[2-(methoxymethyl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.222376 176.2
[M+Na]+ 327.204318 179.4
[M-H]- 303.207824 177.7
[M+NH4]+ 322.248923 188.3
[M+K]+ 343.178258 174.7
[M+H-H2O]+ 287.212360 166.2
[M+HCOO]- 349.213301 187.8
[M+CH3COO]- 363.228951 203.8
[M+Na-2H]- 325.189766 177.5
[M]+ 304.21455142 171.2
[M]- 304.21564858 171.2
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.