CID 125452599

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula
C16H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCCCC3=C(C=C2)N
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13/h9-10H,5-8,18H2,1-4H3
InChIKey
IUFAIASERNOHJV-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19728 162.8
[M+Na]+ 296.17922 170.7
[M-H]- 272.18272 171.3
[M+NH4]+ 291.22382 183.3
[M+K]+ 312.15316 169.3
[M+H-H2O]+ 256.18726 157.4
[M+HCOO]- 318.18820 180.0
[M+CH3COO]- 332.20385 175.1
[M+Na-2H]- 294.16467 166.6
[M]+ 273.18945 161.6
[M]- 273.19055 161.6
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.