CID 45038753

2-(cyclopentyl)ethenyl-1-boronic acid

Structural Information

Molecular Formula
C7H13BO2
SMILES
B(/C=C/C1CCCC1)(O)O
InChI
InChI=1S/C7H13BO2/c9-8(10)6-5-7-3-1-2-4-7/h5-7,9-10H,1-4H2/b6-5+
InChIKey
REDSVDRKHXLRKC-AATRIKPKSA-N
Compound name
[(E)-2-cyclopentylethenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

140.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10814 131.7
[M+Na]+ 163.09008 136.6
[M-H]- 139.09358 131.8
[M+NH4]+ 158.13468 153.4
[M+K]+ 179.06402 134.7
[M+H-H2O]+ 123.09812 127.0
[M+HCOO]- 185.09906 151.0
[M+CH3COO]- 199.11471 166.6
[M+Na-2H]- 161.07553 134.0
[M]+ 140.10031 126.6
[M]- 140.10141 126.6
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