CID 146049525

2754390-14-0

Structural Information

Molecular Formula
C12H15BO2
SMILES
B(C1=C2CCCC2=CC3=C1CCC3)(O)O
InChI
InChI=1S/C12H15BO2/c14-13(15)12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7,14-15H,1-6H2
InChIKey
BZNJZUXEZHKDRP-UHFFFAOYSA-N
Compound name
1,2,3,5,6,7-hexahydro-s-indacen-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12380 144.8
[M+Na]+ 225.10574 151.8
[M-H]- 201.10924 147.6
[M+NH4]+ 220.15034 168.4
[M+K]+ 241.07968 147.9
[M+H-H2O]+ 185.11378 140.8
[M+HCOO]- 247.11472 162.9
[M+CH3COO]- 261.13037 157.2
[M+Na-2H]- 223.09119 146.7
[M]+ 202.11597 141.7
[M]- 202.11707 141.7
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.