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: 308
Patents: 236.17763 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.184906	154.0
[M+Na]+	259.166848	161.2
[M-H]-	235.170354	158.2
[M+NH4]+	254.211453	177.3
[M+K]+	275.140788	158.9
[M+H-H2O]+	219.174890	149.1
[M+HCOO]-	281.175831	171.2
[M+CH3COO]-	295.191481	194.2
[M+Na-2H]-	257.152296	158.7
[M]+	236.17708142	153.1
[M]-	236.17817858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe