CID 71310804

1257740-56-9

Structural Information

Molecular Formula
C10H11BN2O4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CN=CC=C2
InChI
InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(17-10(15)7-13)8-3-2-4-12-5-8/h2-5H,6-7H2,1H3
InChIKey
QJEDFNBMCXNWRT-UHFFFAOYSA-N
Compound name
6-methyl-2-pyridin-3-yl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.08119 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08847 151.3
[M+Na]+ 257.07041 156.7
[M-H]- 233.07391 153.9
[M+NH4]+ 252.11501 157.0
[M+K]+ 273.04435 157.7
[M+H-H2O]+ 217.07845 146.6
[M+HCOO]- 279.07939 159.1
[M+CH3COO]- 293.09504 224.7
[M+Na-2H]- 255.05586 152.2
[M]+ 234.08064 151.3
[M]- 234.08174 151.3
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

patents stripe