CID 481710

2-butyl-1-hydroxy-4h-2,4,1-benzodiazaborinin-3-one

Structural Information

Molecular Formula
C11H15BN2O2
SMILES
B1(C2=CC=CC=C2NC(=O)N1CCCC)O
InChI
InChI=1S/C11H15BN2O2/c1-2-3-8-14-11(15)13-10-7-5-4-6-9(10)12(14)16/h4-7,16H,2-3,8H2,1H3,(H,13,15)
InChIKey
VLYLGEOXSXGQFV-UHFFFAOYSA-N
Compound name
2-butyl-1-hydroxy-4H-2,4,1-benzodiazaborinin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12995 148.9
[M+Na]+ 241.11189 156.7
[M-H]- 217.11539 147.7
[M+NH4]+ 236.15649 164.8
[M+K]+ 257.08583 152.1
[M+H-H2O]+ 201.11993 141.8
[M+HCOO]- 263.12087 164.5
[M+CH3COO]- 277.13652 184.9
[M+Na-2H]- 239.09734 153.9
[M]+ 218.12212 146.4
[M]- 218.12322 146.4
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

No patent data available for this compound.