CID 300806

Exo-2-norbornyl formate

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC2CC1CC2OC=O

InChI

InChI=1S/C8H12O2/c9-5-10-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2

InChIKey

SGXIEZNAOCVSKO-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 367
Patents: 140.08372 Da
Monoisotopic Mass: 1.9
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]+	141.090996	129.9
[M+Na]+	163.072938	137.4
[M-H]-	139.076444	132.7
[M+NH4]+	158.117543	156.7
[M+K]+	179.046878	136.3
[M+H-H2O]+	123.080980	126.0
[M+HCOO]-	185.081921	152.2
[M+CH3COO]-	199.097571	172.9
[M+Na-2H]-	161.058386	134.3
[M]+	140.08317142	129.9
[M]-	140.08426858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe