CID 139594176

Ns00000923

Structural Information

Molecular Formula
C15H23NO3
SMILES
CN(C)CC1CCCCC1(C2=C(C=CC(=C2)O)O)O
InChI
InChI=1S/C15H23NO3/c1-16(2)10-11-5-3-4-8-15(11,19)13-9-12(17)6-7-14(13)18/h6-7,9,11,17-19H,3-5,8,10H2,1-2H3
InChIKey
AJWYKQRQBJWATN-UHFFFAOYSA-N
Compound name
2-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 162.2
[M+Na]+ 288.15702 166.9
[M-H]- 264.16052 165.9
[M+NH4]+ 283.20162 179.2
[M+K]+ 304.13096 164.3
[M+H-H2O]+ 248.16506 156.1
[M+HCOO]- 310.16600 179.6
[M+CH3COO]- 324.18165 196.2
[M+Na-2H]- 286.14247 164.2
[M]+ 265.16725 158.3
[M]- 265.16835 158.3
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.