CID 39547

Brn 2109240

Structural Information

Molecular Formula
C18H31NO
SMILES
CCN(CC)CC#CCC1(CC2CCC1(C2(C)C)C)O
InChI
InChI=1S/C18H31NO/c1-6-19(7-2)13-9-8-11-18(20)14-15-10-12-17(18,5)16(15,3)4/h15,20H,6-7,10-14H2,1-5H3
InChIKey
BEUILPZTNBTKFM-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)but-2-ynyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.24057 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.24785 170.0
[M+Na]+ 300.22979 180.5
[M-H]- 276.23329 171.9
[M+NH4]+ 295.27439 194.7
[M+K]+ 316.20373 171.5
[M+H-H2O]+ 260.23783 161.1
[M+HCOO]- 322.23877 183.7
[M+CH3COO]- 336.25442 210.1
[M+Na-2H]- 298.21524 171.3
[M]+ 277.24002 166.9
[M]- 277.24112 166.9
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.