CID 122167

64309-39-3

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCN(CCC)C1CCC2=C(C1)C=CC(=C2O)O
InChI
InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3
InChIKey
JQHSYAQISCFWOK-UHFFFAOYSA-N
Compound name
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

21
Patents

263.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 163.4
[M+Na]+ 286.177758 168.2
[M-H]- 262.181264 165.8
[M+NH4]+ 281.222363 180.5
[M+K]+ 302.151698 165.0
[M+H-H2O]+ 246.185800 156.8
[M+HCOO]- 308.186741 181.5
[M+CH3COO]- 322.202391 201.3
[M+Na-2H]- 284.163206 165.7
[M]+ 263.18799142 162.5
[M]- 263.18908858 162.5
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