CID 16537

Terpinyl formate

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1=CCC(CC1)C(C)(C)OC=O

InChI

InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3

InChIKey

IPYLQIQMGUZFCK-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 343
Patents: 182.13068 Da
Monoisotopic Mass: 2.4
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]+	183.137956	140.8
[M+Na]+	205.119898	147.0
[M-H]-	181.123404	144.0
[M+NH4]+	200.164503	161.0
[M+K]+	221.093838	146.0
[M+H-H2O]+	165.127940	135.7
[M+HCOO]-	227.128881	160.9
[M+CH3COO]-	241.144531	182.7
[M+Na-2H]-	203.105346	146.1
[M]+	182.13013142	140.8
[M]-	182.13122858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe