CID 12987

2-methyl-1,4-pentadiene

Structural Information

Molecular Formula
C6H10
SMILES
CC(=C)CC=C
InChI
InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3
InChIKey
DRWYRROCDFQZQF-UHFFFAOYSA-N
Compound name
2-methylpenta-1,4-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3302
Patents

82.07825 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.085526 115.2
[M+Na]+ 105.067468 122.8
[M-H]- 81.070974 115.8
[M+NH4]+ 100.112073 139.3
[M+K]+ 121.041408 122.1
[M+H-H2O]+ 65.075510 111.5
[M+HCOO]- 127.076451 138.4
[M+CH3COO]- 141.092101 166.3
[M+Na-2H]- 103.052916 121.4
[M]+ 82.07770142 114.4
[M]- 82.07879858 114.4
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