CID 165823044

En300-39849531

Structural Information

Molecular Formula
C12H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(C)(C)CCCN
InChI
InChI=1S/C12H26BNO2/c1-10(2,8-7-9-14)13-15-11(3,4)12(5,6)16-13/h7-9,14H2,1-6H3
InChIKey
KNLNQHWVCSEUIV-UHFFFAOYSA-N
Compound name
4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.21294 150.6
[M+Na]+ 250.19488 157.5
[M-H]- 226.19838 154.9
[M+NH4]+ 245.23948 172.1
[M+K]+ 266.16882 158.6
[M+H-H2O]+ 210.20292 148.0
[M+HCOO]- 272.20386 169.1
[M+CH3COO]- 286.21951 194.0
[M+Na-2H]- 248.18033 156.7
[M]+ 227.20511 153.2
[M]- 227.20621 153.2
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.