CID 496877

Nsc701652

Structural Information

Molecular Formula
C6H10O4
SMILES
CC1C(OC1=O)C(CO)O
InChI
InChI=1S/C6H10O4/c1-3-5(4(8)2-7)10-6(3)9/h3-5,7-8H,2H2,1H3
InChIKey
SKLYVWVURSIBBW-UHFFFAOYSA-N
Compound name
4-(1,2-dihydroxyethyl)-3-methyloxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 125.7
[M+Na]+ 169.04712 131.7
[M-H]- 145.05062 127.6
[M+NH4]+ 164.09172 138.1
[M+K]+ 185.02106 135.4
[M+H-H2O]+ 129.05516 116.1
[M+HCOO]- 191.05610 143.9
[M+CH3COO]- 205.07175 174.0
[M+Na-2H]- 167.03257 130.0
[M]+ 146.05735 134.6
[M]- 146.05845 134.6
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.