CID 6455445

38721-52-7

Structural Information

Molecular Formula
C12H27B
SMILES
[B-](C(C)CC)(C(C)CC)C(C)CC
InChI
InChI=1S/C12H27B/c1-7-10(4)13(11(5)8-2)12(6)9-3/h10-12H,7-9H2,1-6H3/q-1
InChIKey
OIJZFGWPBQZYRW-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

1
Patents

182.22058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.22786 149.9
[M+Na]+ 205.20980 153.3
[M-H]- 181.21330 147.6
[M+NH4]+ 200.25440 169.5
[M+K]+ 221.18374 153.2
[M+H-H2O]+ 165.21784 147.4
[M+HCOO]- 227.21878 167.0
[M+CH3COO]- 241.23443 188.4
[M+Na-2H]- 203.19525 147.3
[M]+ 182.22003 148.9
[M]- 182.22113 148.9
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

No patent data available for this compound.