CID 63556415

2-(oxolan-3-yloxy)acetic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
C1COCC1OCC(=O)O
InChI
InChI=1S/C6H10O4/c7-6(8)4-10-5-1-2-9-3-5/h5H,1-4H2,(H,7,8)
InChIKey
ZZEMYDVVPYLDBT-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yloxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

146.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 128.1
[M+Na]+ 169.04712 134.0
[M-H]- 145.05062 130.5
[M+NH4]+ 164.09172 148.8
[M+K]+ 185.02106 135.3
[M+H-H2O]+ 129.05516 123.2
[M+HCOO]- 191.05610 149.0
[M+CH3COO]- 205.07175 168.5
[M+Na-2H]- 167.03257 133.0
[M]+ 146.05735 127.8
[M]- 146.05845 127.8
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