CID 44151581

93777-37-8

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(CC1=CC2CCC1(C2(C)C)C)COC(=O)C
InChI
InChI=1S/C16H26O2/c1-11(10-18-12(2)17)8-14-9-13-6-7-16(14,5)15(13,3)4/h9,11,13H,6-8,10H2,1-5H3
InChIKey
OBIBNWKUEMBPDF-UHFFFAOYSA-N
Compound name
[2-methyl-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 163.4
[M+Na]+ 273.182498 170.9
[M-H]- 249.186004 166.4
[M+NH4]+ 268.227103 190.1
[M+K]+ 289.156438 168.4
[M+H-H2O]+ 233.190540 160.5
[M+HCOO]- 295.191481 182.3
[M+CH3COO]- 309.207131 197.8
[M+Na-2H]- 271.167946 164.0
[M]+ 250.19273142 167.2
[M]- 250.19382858 167.2
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.