CID 535159

1,5-heptadiene, 2,5-dimethyl-3-methylene-

Structural Information

Molecular Formula
C10H16
SMILES
CC=C(C)CC(=C)C(=C)C
InChI
InChI=1S/C10H16/c1-6-9(4)7-10(5)8(2)3/h6H,2,5,7H2,1,3-4H3
InChIKey
NUVZHUHADLUEJS-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-methylidenehepta-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

136.1252 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 132.2
[M+Na]+ 159.114418 138.2
[M-H]- 135.117924 132.4
[M+NH4]+ 154.159023 154.1
[M+K]+ 175.088358 136.6
[M+H-H2O]+ 119.122460 128.0
[M+HCOO]- 181.123401 152.4
[M+CH3COO]- 195.139051 178.5
[M+Na-2H]- 157.099866 133.8
[M]+ 136.12465142 131.0
[M]- 136.12574858 131.0
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