CID 75176002

2-methoxy-n-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine

Structural Information

Molecular Formula
C16H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNCCOC
InChI
InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-18-10-11-19-5/h6-9,18H,10-12H2,1-5H3
InChIKey
UVELOBSBKNXVMQ-UHFFFAOYSA-N
Compound name
2-methoxy-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20784 166.0
[M+Na]+ 314.18978 173.2
[M-H]- 290.19328 174.1
[M+NH4]+ 309.23438 184.9
[M+K]+ 330.16372 173.2
[M+H-H2O]+ 274.19782 160.7
[M+HCOO]- 336.19876 187.2
[M+CH3COO]- 350.21441 204.9
[M+Na-2H]- 312.17523 171.2
[M]+ 291.20001 170.9
[M]- 291.20111 170.9
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.