CID 25076548

1-pentalenol, octahydro-, 1-formate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2CCC(C2C1)OC=O

InChI

InChI=1S/C9H14O2/c10-6-11-9-5-4-7-2-1-3-8(7)9/h6-9H,1-5H2

InChIKey

LIERIUBKWIGWPD-UHFFFAOYSA-N

Compound name

1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 154.09938 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]+	155.106656	134.6
[M+Na]+	177.088598	141.2
[M-H]-	153.092104	138.5
[M+NH4]+	172.133203	160.0
[M+K]+	193.062538	140.0
[M+H-H2O]+	137.096640	130.0
[M+HCOO]-	199.097581	156.7
[M+CH3COO]-	213.113231	174.7
[M+Na-2H]-	175.074046	137.3
[M]+	154.09883142	132.9
[M]-	154.09992858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.