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

0
Patents

287.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21294 163.2
[M+Na]+ 310.19488 173.2
[M+NH4]+ 305.23948 175.8
[M+K]+ 326.16882 166.0
[M-H]- 286.19838 171.0
[M+Na-2H]- 308.18033 172.5
[M]+ 287.20511 167.3
[M]- 287.20621 167.3
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.