CID 44138342

1104637-36-6

Structural Information

Molecular Formula
C8H12BNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2CC2
InChI
InChI=1S/C8H12BNO4/c1-10-4-7(11)13-9(6-2-3-6)14-8(12)5-10/h6H,2-5H2,1H3
InChIKey
LLXFTRDFBQZFSN-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

197.08594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09322 138.2
[M+Na]+ 220.07516 144.3
[M-H]- 196.07866 142.0
[M+NH4]+ 215.11976 143.6
[M+K]+ 236.04910 145.6
[M+H-H2O]+ 180.08320 134.6
[M+HCOO]- 242.08414 146.7
[M+CH3COO]- 256.09979 223.6
[M+Na-2H]- 218.06061 139.9
[M]+ 197.08539 139.7
[M]- 197.08649 139.7
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