CID 24846218

102367-21-5

Structural Information

Molecular Formula
C10H14O4
SMILES
CCC(C)(C#C)OC(=O)CCC(=O)O
InChI
InChI=1S/C10H14O4/c1-4-10(3,5-2)14-9(13)7-6-8(11)12/h1H,5-7H2,2-3H3,(H,11,12)
InChIKey
PQNZKIOZMOGZND-UHFFFAOYSA-N
Compound name
4-(3-methylpent-1-yn-3-yloxy)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 144.9
[M+Na]+ 221.07842 153.0
[M-H]- 197.08192 143.3
[M+NH4]+ 216.12302 161.5
[M+K]+ 237.05236 152.0
[M+H-H2O]+ 181.08646 134.6
[M+HCOO]- 243.08740 158.8
[M+CH3COO]- 257.10305 190.4
[M+Na-2H]- 219.06387 147.2
[M]+ 198.08865 142.2
[M]- 198.08975 142.2
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.