CID 139377

Methylboronic acid

Structural Information

Molecular Formula
CH5BO2
SMILES
B(C)(O)O
InChI
InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3
InChIKey
KTMKRRPZPWUYKK-UHFFFAOYSA-N
Compound name
methylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

15940
Patents

60.03826 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 61.045536 106.5
[M+Na]+ 83.027478 114.4
[M-H]- 59.030984 104.7
[M+NH4]+ 78.072083 130.1
[M+K]+ 99.001418 114.9
[M+H-H2O]+ 43.035520 103.3
[M+HCOO]- 105.03646 128.2
[M+CH3COO]- 119.05211 153.8
[M+Na-2H]- 81.012926 113.6
[M]+ 60.037711 104.6
[M]- 60.038809 104.6
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