CID 280

Carbon dioxide

Structural Information

Molecular Formula

SMILES

C(=O)=O

InChI

InChI=1S/CO2/c2-1-3

InChIKey

CURLTUGMZLYLDI-UHFFFAOYSA-N

Compound name

carbon dioxide

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 104023
References: 646765
Patents: 43.98983 Da
Monoisotopic Mass: 0.9
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]+	44.997106	97.8
[M+Na]+	66.979048	107.7
[M-H]-	42.982554	99.1
[M+NH4]+	62.023653	123.4
[M+K]+	82.952988	108.8
[M+H-H2O]+	26.987090	94.6
[M+HCOO]-	88.988031	124.2
[M+CH3COO]-	103.00368	154.1
[M+Na-2H]-	64.964496	107.9
[M]+	43.989281	98.8
[M]-	43.990379	98.8

Literature stripe

literature stripe

Patent stripe

patents stripe