CID 53216308

4-(1-aminocyclopropyl)phenylboronic acid hydrochloride

Structural Information

Molecular Formula
C9H12BNO2
SMILES
B(C1=CC=C(C=C1)C2(CC2)N)(O)O
InChI
InChI=1S/C9H12BNO2/c11-9(5-6-9)7-1-3-8(4-2-7)10(12)13/h1-4,12-13H,5-6,11H2
InChIKey
NAUAVKHPAOUUAP-UHFFFAOYSA-N
Compound name
[4-(1-aminocyclopropyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

177.09612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10340 132.2
[M+Na]+ 200.08534 141.0
[M-H]- 176.08884 137.3
[M+NH4]+ 195.12994 147.7
[M+K]+ 216.05928 138.0
[M+H-H2O]+ 160.09338 127.5
[M+HCOO]- 222.09432 153.8
[M+CH3COO]- 236.10997 180.5
[M+Na-2H]- 198.07079 138.6
[M]+ 177.09557 131.7
[M]- 177.09667 131.7
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

patents stripe