CID 137951537

Propyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

Structural Information

Molecular Formula
C16H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNCCC
InChI
InChI=1S/C16H26BNO2/c1-6-11-18-12-13-7-9-14(10-8-13)17-19-15(2,3)16(4,5)20-17/h7-10,18H,6,11-12H2,1-5H3
InChIKey
ONAFVJCPCQEEAH-UHFFFAOYSA-N
Compound name
N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21294 163.0
[M+Na]+ 298.19488 170.3
[M-H]- 274.19838 171.1
[M+NH4]+ 293.23948 182.6
[M+K]+ 314.16882 169.7
[M+H-H2O]+ 258.20292 157.8
[M+HCOO]- 320.20386 184.0
[M+CH3COO]- 334.21951 202.8
[M+Na-2H]- 296.18033 168.0
[M]+ 275.20511 166.4
[M]- 275.20621 166.4
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.