CID 25325

10519-12-7

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C1CCC2CC(CCC2C1)OC=O

InChI

InChI=1S/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2

InChIKey

NMFWOBQDDWFAAB-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl formate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 148
Patents: 182.13068 Da
Monoisotopic Mass: 3.5
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]+	183.13796	140.2
[M+Na]+	205.11990	144.1
[M-H]-	181.12340	143.1
[M+NH4]+	200.16450	160.8
[M+K]+	221.09384	142.4
[M+H-H2O]+	165.12794	134.2
[M+HCOO]-	227.12888	157.3
[M+CH3COO]-	241.14453	181.0
[M+Na-2H]-	203.10535	144.8
[M]+	182.13013	134.9
[M]-	182.13123	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe