CID 10508044

Methanaminium, n,n,n-trimethyl-, (t-4)-butyltriphenylborate(1-)

Structural Information

Molecular Formula
C22H24B
SMILES
[B-](CCCC)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H24B/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q-1
InChIKey
BNIJFMSELULSLU-UHFFFAOYSA-N
Compound name
butyl(triphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

838
Patents

299.1971 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20438 169.2
[M+Na]+ 322.18632 172.9
[M-H]- 298.18982 175.8
[M+NH4]+ 317.23092 182.6
[M+K]+ 338.16026 166.6
[M+H-H2O]+ 282.19436 162.2
[M+HCOO]- 344.19530 189.5
[M+CH3COO]- 358.21095 202.3
[M+Na-2H]- 320.17177 174.7
[M]+ 299.19655 165.4
[M]- 299.19765 165.4
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