CID 112756518

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

Structural Information

Molecular Formula

C₁₇H₂₆BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCCC3)N

InChI

InChI=1S/C17H26BNO2/c1-15(2)16(3,4)21-18(20-15)14-9-7-13(8-10-14)17(19)11-5-6-12-17/h7-10H,5-6,11-12,19H2,1-4H3

InChIKey

ULHBTCWDXIBCKL-UHFFFAOYSA-N

Compound name

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.20566 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.212936	163.0
[M+Na]+	310.194878	170.3
[M-H]-	286.198384	173.9
[M+NH4]+	305.239483	185.1
[M+K]+	326.168818	169.1
[M+H-H2O]+	270.202920	158.6
[M+HCOO]-	332.203861	182.4
[M+CH3COO]-	346.219511	175.7
[M+Na-2H]-	308.180326	165.6
[M]+	287.20511142	161.8
[M]-	287.20620858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe