CID 77297137

1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)N
InChI
InChI=1S/C14H22BNO2/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-10H,16H2,1-5H3
InChIKey
WOWCIGGGXSUZIG-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

247.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18164 155.4
[M+Na]+ 270.16358 166.6
[M+NH4]+ 265.20818 166.3
[M+K]+ 286.13752 159.9
[M-H]- 246.16708 161.8
[M+Na-2H]- 268.14903 163.0
[M]+ 247.17381 159.2
[M]- 247.17491 159.2
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

patents stripe