CID 93948

58096-47-2

Structural Information

Molecular Formula
C16H26O2
SMILES
CC1(CC(C23C1CCC(C2)(CCC3)C)OC=O)C
InChI
InChI=1S/C16H26O2/c1-14(2)9-13(18-11-17)16-7-4-6-15(3,10-16)8-5-12(14)16/h11-13H,4-10H2,1-3H3
InChIKey
WXBDWVKJVASAHR-UHFFFAOYSA-N
Compound name
(4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

250.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 161.0
[M+Na]+ 273.18250 167.2
[M-H]- 249.18600 164.5
[M+NH4]+ 268.22710 188.0
[M+K]+ 289.15644 163.6
[M+H-H2O]+ 233.19054 155.9
[M+HCOO]- 295.19148 175.3
[M+CH3COO]- 309.20713 195.4
[M+Na-2H]- 271.16795 165.2
[M]+ 250.19273 158.7
[M]- 250.19383 158.7
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

patents stripe