CID 136572

2,3-dimethyl-1,4-pentadiene

Structural Information

Molecular Formula
C7H12
SMILES
CC(C=C)C(=C)C
InChI
InChI=1S/C7H12/c1-5-7(4)6(2)3/h5,7H,1-2H2,3-4H3
InChIKey
SOKHGJZTJQMHEW-UHFFFAOYSA-N
Compound name
2,3-dimethylpenta-1,4-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

42
Patents

96.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 119.9
[M+Na]+ 119.08312 126.9
[M-H]- 95.086624 120.4
[M+NH4]+ 114.12772 143.5
[M+K]+ 135.05706 126.3
[M+H-H2O]+ 79.091160 116.1
[M+HCOO]- 141.09210 141.8
[M+CH3COO]- 155.10775 170.2
[M+Na-2H]- 117.06857 124.3
[M]+ 96.093351 118.9
[M]- 96.094449 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe