CID 88703

2-hydroxy-2-methylpropanal

Structural Information

Molecular Formula
C4H8O2
SMILES
CC(C)(C=O)O
InChI
InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3
InChIKey
HNVAGBIANFAIIL-UHFFFAOYSA-N
Compound name
2-hydroxy-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

835
Patents

88.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 115.1
[M+Na]+ 111.04165 125.4
[M+NH4]+ 106.08625 122.9
[M+K]+ 127.01559 121.4
[M-H]- 87.045154 113.5
[M+Na-2H]- 109.02710 119.1
[M]+ 88.051881 115.9
[M]- 88.052979 115.9
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