CID 3019831

84282-45-1

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC#CCOC(C)(C)OC
InChI
InChI=1S/C9H16O2/c1-5-6-7-8-11-9(2,3)10-4/h5,8H2,1-4H3
InChIKey
JGTYVGDJHYHGRX-UHFFFAOYSA-N
Compound name
1-(2-methoxypropan-2-yloxy)pent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 134.4
[M+Na]+ 179.104258 143.5
[M-H]- 155.107764 134.3
[M+NH4]+ 174.148863 153.8
[M+K]+ 195.078198 142.8
[M+H-H2O]+ 139.112300 124.3
[M+HCOO]- 201.113241 151.1
[M+CH3COO]- 215.128891 186.1
[M+Na-2H]- 177.089706 140.1
[M]+ 156.11449142 133.0
[M]- 156.11558858 133.0
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