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
3
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 148.7
[M+Na]+ 205.20980 157.1
[M+NH4]+ 200.25440 156.0
[M+K]+ 221.18374 152.8
[M-H]- 181.21330 147.8
[M+Na-2H]- 203.19525 149.6
[M]+ 182.22003 149.2
[M]- 182.22113 149.2
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.