CID 3086475

Bicyclo(3.1.1)heptanol, 2,6,6-trimethyl-, acetate

Structural Information

Molecular Formula
C14H24O
SMILES
C[C@@H]1[C@@H](C(C2CC1(C2)C)(C)C)OC(=C)C
InChI
InChI=1S/C14H24O/c1-9(2)15-12-10(3)14(6)7-11(8-14)13(12,4)5/h10-12H,1,7-8H2,2-6H3/t10-,11?,12+,14?/m1/s1
InChIKey
HLLJVYBUFVRJHE-JJMZSNKZSA-N
Compound name
(2S,3S)-1,2,4,4-tetramethyl-3-prop-1-en-2-yloxybicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.18271 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 151.0
[M+Na]+ 231.17193 156.7
[M+NH4]+ 226.21653 159.9
[M+K]+ 247.14587 148.1
[M-H]- 207.17543 147.1
[M+Na-2H]- 229.15738 149.1
[M]+ 208.18216 149.9
[M]- 208.18326 149.9
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.