CID 6429324

2-isopropyl-1,4-hexadiene

Structural Information

Molecular Formula
C9H16
SMILES
C/C=C/CC(=C)C(C)C
InChI
InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+
InChIKey
KKKHJDOOIQCWIL-AATRIKPKSA-N
Compound name
(E)-6-methyl-5-methylidenehept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

124.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 129.5
[M+Na]+ 147.11442 135.8
[M-H]- 123.11792 129.7
[M+NH4]+ 142.15902 152.1
[M+K]+ 163.08836 134.7
[M+H-H2O]+ 107.12246 125.3
[M+HCOO]- 169.12340 150.8
[M+CH3COO]- 183.13905 175.6
[M+Na-2H]- 145.09987 132.8
[M]+ 124.12465 129.2
[M]- 124.12575 129.2
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