CID 86029853

6-methoxy-3,3-dimethylhex-1-yne

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(CCCOC)C#C
InChI
InChI=1S/C9H16O/c1-5-9(2,3)7-6-8-10-4/h1H,6-8H2,2-4H3
InChIKey
BZSFWIJZDHKMOX-UHFFFAOYSA-N
Compound name
6-methoxy-3,3-dimethylhex-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 131.4
[M+Na]+ 163.109338 140.4
[M-H]- 139.112844 131.3
[M+NH4]+ 158.153943 151.2
[M+K]+ 179.083278 139.2
[M+H-H2O]+ 123.117380 121.5
[M+HCOO]- 185.118321 147.8
[M+CH3COO]- 199.133971 185.7
[M+Na-2H]- 161.094786 137.1
[M]+ 140.11957142 128.9
[M]- 140.12066858 128.9
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