CID 21117734

Ns00045412

Structural Information

Molecular Formula
C16H28O2
SMILES
CC(CCC1C2CCC(C2)C1(C)C)COC(=O)C
InChI
InChI=1S/C16H28O2/c1-11(10-18-12(2)17)5-8-15-13-6-7-14(9-13)16(15,3)4/h11,13-15H,5-10H2,1-4H3
InChIKey
FZRIZMYSJCHODH-UHFFFAOYSA-N
Compound name
[4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 167.4
[M+Na]+ 275.198138 172.8
[M-H]- 251.201644 169.6
[M+NH4]+ 270.242743 191.9
[M+K]+ 291.172078 170.5
[M+H-H2O]+ 235.206180 163.7
[M+HCOO]- 297.207121 184.8
[M+CH3COO]- 311.222771 198.4
[M+Na-2H]- 273.183586 165.6
[M]+ 252.20837142 169.4
[M]- 252.20946858 169.4
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.