CID 79304716

2-hydroxy-2-(oxan-4-yl)propanoic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C1CCOCC1)(C(=O)O)O
InChI
InChI=1S/C8H14O4/c1-8(11,7(9)10)6-2-4-12-5-3-6/h6,11H,2-5H2,1H3,(H,9,10)
InChIKey
KZYJRPVUZBEARV-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 136.3
[M+Na]+ 197.07842 140.6
[M-H]- 173.08192 137.1
[M+NH4]+ 192.12302 153.4
[M+K]+ 213.05236 141.1
[M+H-H2O]+ 157.08646 131.6
[M+HCOO]- 219.08740 151.5
[M+CH3COO]- 233.10305 172.7
[M+Na-2H]- 195.06387 141.9
[M]+ 174.08865 132.5
[M]- 174.08975 132.5
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.