CID 13555

4-methyl-1,3-pentadiene

Structural Information

Molecular Formula
C6H10
SMILES
CC(=CC=C)C
InChI
InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3
InChIKey
CJSBUWDGPXGFGA-UHFFFAOYSA-N
Compound name
4-methylpenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

19067
Patents

82.07825 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.085526 115.3
[M+Na]+ 105.06747 123.1
[M-H]- 81.070974 116.0
[M+NH4]+ 100.11207 139.6
[M+K]+ 121.04141 122.3
[M+H-H2O]+ 65.075510 111.7
[M+HCOO]- 127.07645 138.6
[M+CH3COO]- 141.09210 165.6
[M+Na-2H]- 103.05292 121.6
[M]+ 82.077701 114.5
[M]- 82.078799 114.5
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