CID 58429923

6-methyl-2-(propan-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Structural Information

Molecular Formula
C8H14BNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C(C)C
InChI
InChI=1S/C8H14BNO4/c1-6(2)9-13-7(11)4-10(3)5-8(12)14-9/h6H,4-5H2,1-3H3
InChIKey
JZWGYRCXNPOLKZ-UHFFFAOYSA-N
Compound name
6-methyl-2-propan-2-yl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

199.1016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10888 150.3
[M+Na]+ 222.09082 155.5
[M-H]- 198.09432 152.2
[M+NH4]+ 217.13542 157.5
[M+K]+ 238.06476 157.3
[M+H-H2O]+ 182.09886 146.7
[M+HCOO]- 244.09980 157.9
[M+CH3COO]- 258.11545 223.1
[M+Na-2H]- 220.07627 150.1
[M]+ 199.10105 150.7
[M]- 199.10215 150.7
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