CID 86115

110458-86-1

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1C(C2(CC1CC2COC(=O)C)C(C)C)C
InChI
InChI=1S/C15H26O2/c1-9(2)15-7-13(10(3)11(15)4)6-14(15)8-17-12(5)16/h9-11,13-14H,6-8H2,1-5H3
InChIKey
FOMATACSWQXYTE-UHFFFAOYSA-N
Compound name
(5,6-dimethyl-1-propan-2-yl-2-bicyclo[2.2.1]heptanyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 161.2
[M+Na]+ 261.182498 168.0
[M-H]- 237.186004 163.9
[M+NH4]+ 256.227103 186.6
[M+K]+ 277.156438 165.9
[M+H-H2O]+ 221.190540 158.1
[M+HCOO]- 283.191481 178.9
[M+CH3COO]- 297.207131 196.7
[M+Na-2H]- 259.167946 159.5
[M]+ 238.19273142 163.2
[M]- 238.19382858 163.2
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.