CID 10219395

Propaneperoxoic acid, 2-hydroxy-

Structural Information

Molecular Formula
C3H6O4
SMILES
CC(C(=O)OO)O
InChI
InChI=1S/C3H6O4/c1-2(4)3(5)7-6/h2,4,6H,1H3
InChIKey
LLWVBKQQPPRNEX-UHFFFAOYSA-N
Compound name
2-hydroxypropaneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

840
Patents

106.02661 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.033886 117.3
[M+Na]+ 129.015828 124.7
[M-H]- 105.019334 115.3
[M+NH4]+ 124.060433 138.8
[M+K]+ 144.989768 125.6
[M+H-H2O]+ 89.023870 113.4
[M+HCOO]- 151.024811 138.2
[M+CH3COO]- 165.040461 160.9
[M+Na-2H]- 127.001276 122.3
[M]+ 106.02606142 117.3
[M]- 106.02715858 117.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe