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]+ 127.11174 126.2
[M+Na]+ 149.09368 136.4
[M+NH4]+ 144.13828 130.9
[M+K]+ 165.06762 128.5
[M-H]- 125.09718 118.1
[M+Na-2H]- 147.07913 127.4
[M]+ 126.10391 124.4
[M]- 126.10501 124.4
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.