CID 122163501

5-(pyrrolidine-1-sulfonyl)-1,3-dihydro-2,1-benzoxaborol-1-ol

Structural Information

Molecular Formula
C11H14BNO4S
SMILES
B1(C2=C(CO1)C=C(C=C2)S(=O)(=O)N3CCCC3)O
InChI
InChI=1S/C11H14BNO4S/c14-12-11-4-3-10(7-9(11)8-17-12)18(15,16)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKey
KRPUVSDREVJGOI-UHFFFAOYSA-N
Compound name
1-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)sulfonyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07367 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08095 156.6
[M+Na]+ 290.06289 165.0
[M-H]- 266.06639 162.8
[M+NH4]+ 285.10749 175.1
[M+K]+ 306.03683 163.3
[M+H-H2O]+ 250.07093 152.4
[M+HCOO]- 312.07187 170.2
[M+CH3COO]- 326.08752 187.7
[M+Na-2H]- 288.04834 158.3
[M]+ 267.07312 157.9
[M]- 267.07422 157.9
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.