CID 6364989

Pinacolborane

Structural Information

Molecular Formula
C6H12BO2
SMILES
[B]1OC(C(O1)(C)C)(C)C
InChI
InChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3
InChIKey
LZPWAYBEOJRFAX-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

19613
Patents

127.09303 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10031 119.4
[M+Na]+ 150.08225 128.5
[M-H]- 126.08575 124.9
[M+NH4]+ 145.12685 145.1
[M+K]+ 166.05619 131.1
[M+H-H2O]+ 110.09029 117.2
[M+HCOO]- 172.09123 141.2
[M+CH3COO]- 186.10688 170.1
[M+Na-2H]- 148.06770 128.9
[M]+ 127.09248 121.6
[M]- 127.09358 121.6
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