CID 92648

Butyl metaborate

Structural Information

Molecular Formula
C4H9BO2
SMILES
B(=O)OCCCC
InChI
InChI=1S/C4H9BO2/c1-2-3-4-7-5-6/h2-4H2,1H3
InChIKey
IEFORYAKGBSZCQ-UHFFFAOYSA-N
Compound name
butoxy(oxo)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

100.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07684 116.5
[M+Na]+ 123.05878 124.5
[M-H]- 99.062284 117.0
[M+NH4]+ 118.10338 140.0
[M+K]+ 139.03272 125.2
[M+H-H2O]+ 83.066820 112.4
[M+HCOO]- 145.06776 141.5
[M+CH3COO]- 159.08341 166.7
[M+Na-2H]- 121.04423 124.5
[M]+ 100.06901 119.7
[M]- 100.07011 119.7
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