CID 90458672

Mipa-borate

Structural Information

Molecular Formula

C₃H₁₀BNO₃

SMILES

B(O)(O)OC(C)CN

InChI

InChI=1S/C3H10BNO3/c1-3(2-5)8-4(6)7/h3,6-7H,2,5H2,1H3

InChIKey

YSGUQWIFQCHISR-UHFFFAOYSA-N

Compound name

1-aminopropan-2-yloxyboronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 122
Patents: 119.07537 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	120.08265	123.4
[M+Na]+	142.06459	129.2
[M-H]-	118.06809	120.6
[M+NH4]+	137.10919	143.8
[M+K]+	158.03853	129.7
[M+H-H2O]+	102.07263	118.8
[M+HCOO]-	164.07357	144.0
[M+CH3COO]-	178.08922	167.2
[M+Na-2H]-	140.05004	127.1
[M]+	119.07482	121.2
[M]-	119.07592	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe