CID 63488055

Dtxsid001365912

Structural Information

Molecular Formula
C18H37NO
SMILES
CC(C(C)(C)C)N(C)CC1CC(CCC1O)C(C)(C)C
InChI
InChI=1S/C18H37NO/c1-13(17(2,3)4)19(8)12-14-11-15(18(5,6)7)9-10-16(14)20/h13-16,20H,9-12H2,1-8H3
InChIKey
UIWLOBABNFLYHD-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.2875 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.294776 173.6
[M+Na]+ 306.276718 175.8
[M-H]- 282.280224 176.0
[M+NH4]+ 301.321323 189.9
[M+K]+ 322.250658 175.0
[M+H-H2O]+ 266.284760 168.4
[M+HCOO]- 328.285701 187.0
[M+CH3COO]- 342.301351 210.1
[M+Na-2H]- 304.262166 172.6
[M]+ 283.28695142 171.7
[M]- 283.28804858 171.7
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.