CID 3071581

137866-72-9

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CCN(CC)[C@@H]1C=C[C@H]([C@@H]([C@H]1O)O)N(CC)CC
InChI
InChI=1S/C14H28N2O2/c1-5-15(6-2)11-9-10-12(14(18)13(11)17)16(7-3)8-4/h9-14,17-18H,5-8H2,1-4H3/t11-,12-,13+,14+/m1/s1
InChIKey
OYKUYEYHGNPLLR-MQYQWHSLSA-N
Compound name
(1S,2S,3R,6R)-3,6-bis(diethylamino)cyclohex-4-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 164.4
[M+Na]+ 279.20432 168.1
[M-H]- 255.20782 167.4
[M+NH4]+ 274.24892 181.2
[M+K]+ 295.17826 167.5
[M+H-H2O]+ 239.21236 157.6
[M+HCOO]- 301.21330 184.8
[M+CH3COO]- 315.22895 206.4
[M+Na-2H]- 277.18977 163.9
[M]+ 256.21455 164.5
[M]- 256.21565 164.5
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.