CID 89495647

3-[(5-chloro-3h-2,1-benzoxaborol-1-yl)oxy]propan-1-amine

Structural Information

Molecular Formula
C10H13BClNO2
SMILES
B1(C2=C(CO1)C=C(C=C2)Cl)OCCCN
InChI
InChI=1S/C10H13BClNO2/c12-9-2-3-10-8(6-9)7-15-11(10)14-5-1-4-13/h2-3,6H,1,4-5,7,13H2
InChIKey
MOLPDLUHYNMOIO-UHFFFAOYSA-N
Compound name
3-[(5-chloro-3H-2,1-benzoxaborol-1-yl)oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.07278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08006 147.4
[M+Na]+ 248.06200 156.2
[M-H]- 224.06550 151.9
[M+NH4]+ 243.10660 167.9
[M+K]+ 264.03594 152.9
[M+H-H2O]+ 208.07004 142.5
[M+HCOO]- 270.07098 165.8
[M+CH3COO]- 284.08663 188.7
[M+Na-2H]- 246.04745 152.7
[M]+ 225.07223 150.6
[M]- 225.07333 150.6
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