CID 103377

65405-72-3

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CCC2(C(=CCCC2(C1OC=O)C)C)C
InChI
InChI=1S/C15H24O2/c1-11-7-9-14(3)12(2)6-5-8-15(14,4)13(11)17-10-16/h6,10-11,13H,5,7-9H2,1-4H3
InChIKey
DAWDTDPJINNEJM-UHFFFAOYSA-N
Compound name
(2,4a,5,8a-tetramethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl) formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

267
Patents

236.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 154.0
[M+Na]+ 259.16685 161.2
[M-H]- 235.17035 158.2
[M+NH4]+ 254.21145 177.3
[M+K]+ 275.14079 158.9
[M+H-H2O]+ 219.17489 149.1
[M+HCOO]- 281.17583 171.2
[M+CH3COO]- 295.19148 194.2
[M+Na-2H]- 257.15230 158.7
[M]+ 236.17708 153.1
[M]- 236.17818 153.1
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