CID 145869409

3-methyl-4-(propan-2-yloxy)but-1-yne

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)OCC(C)C#C
InChI
InChI=1S/C8H14O/c1-5-8(4)6-9-7(2)3/h1,7-8H,6H2,2-4H3
InChIKey
XFIKCGNYXVSOGH-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-2-yloxybut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 126.4
[M+Na]+ 149.093678 135.0
[M-H]- 125.097184 126.2
[M+NH4]+ 144.138283 146.4
[M+K]+ 165.067618 134.3
[M+H-H2O]+ 109.101720 116.1
[M+HCOO]- 171.102661 142.7
[M+CH3COO]- 185.118311 184.1
[M+Na-2H]- 147.079126 129.9
[M]+ 126.10391142 122.7
[M]- 126.10500858 122.7
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

No patent data available for this compound.