CID 22559083

(7-aminonaphthalen-2-yl)boronic acid

Structural Information

Molecular Formula
C10H10BNO2
SMILES
B(C1=CC2=C(C=C1)C=CC(=C2)N)(O)O
InChI
InChI=1S/C10H10BNO2/c12-10-4-2-7-1-3-9(11(13)14)5-8(7)6-10/h1-6,13-14H,12H2
InChIKey
SQGYMYJXNBMXKB-UHFFFAOYSA-N
Compound name
(7-aminonaphthalen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08774 136.6
[M+Na]+ 210.06968 144.5
[M-H]- 186.07318 138.5
[M+NH4]+ 205.11428 155.8
[M+K]+ 226.04362 140.9
[M+H-H2O]+ 170.07772 131.2
[M+HCOO]- 232.07866 157.3
[M+CH3COO]- 246.09431 180.7
[M+Na-2H]- 208.05513 143.0
[M]+ 187.07991 133.6
[M]- 187.08101 133.6
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