CID 3067063

3-t-butylamino-1-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethoxy)-2-propanol maleate

Structural Information

Molecular Formula
C18H33NO2
SMILES
CC1(C2CC=C(C1C2)CCOCC(CNC(C)(C)C)O)C
InChI
InChI=1S/C18H33NO2/c1-17(2,3)19-11-15(20)12-21-9-8-13-6-7-14-10-16(13)18(14,4)5/h6,14-16,19-20H,7-12H2,1-5H3
InChIKey
UXNVURNGWFOHIV-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.25113 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 194.9
[M+Na]+ 318.24035 196.5
[M-H]- 294.24385 191.5
[M+NH4]+ 313.28495 209.2
[M+K]+ 334.21429 197.0
[M+H-H2O]+ 278.24839 185.8
[M+HCOO]- 340.24933 203.5
[M+CH3COO]- 354.26498 214.0
[M+Na-2H]- 316.22580 199.8
[M]+ 295.25058 208.4
[M]- 295.25168 208.4
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.