CID 101097

Bis-gamma, gamma-dimethylallyl ether

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=CCOCCC(=C)C)C
InChI
InChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h6H,1,5,7-8H2,2-4H3
InChIKey
SBKPSGLYGQUMEX-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-methylbut-3-enoxy)but-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

154.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.7
[M+Na]+ 177.12499 143.6
[M-H]- 153.12849 137.7
[M+NH4]+ 172.16959 159.0
[M+K]+ 193.09893 142.6
[M+H-H2O]+ 137.13303 133.1
[M+HCOO]- 199.13397 158.9
[M+CH3COO]- 213.14962 180.5
[M+Na-2H]- 175.11044 140.3
[M]+ 154.13522 139.2
[M]- 154.13632 139.2
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