CID 10566

2,3-dimethyl-1,3-butadiene

Structural Information

Molecular Formula
C6H10
SMILES
CC(=C)C(=C)C
InChI
InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3
InChIKey
SDJHPPZKZZWAKF-UHFFFAOYSA-N
Compound name
2,3-dimethylbuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

58
References

76482
Patents

82.07825 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.085526 115.1
[M+Na]+ 105.067468 122.6
[M-H]- 81.070974 115.8
[M+NH4]+ 100.112073 139.2
[M+K]+ 121.041408 122.3
[M+H-H2O]+ 65.075510 111.5
[M+HCOO]- 127.076451 137.4
[M+CH3COO]- 141.092101 167.1
[M+Na-2H]- 103.052916 120.1
[M]+ 82.07770142 113.8
[M]- 82.07879858 113.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe