CID 326765

58157-78-1

Structural Information

Molecular Formula
C6H7BN2OS
SMILES
B1(C2=C(C=CS2)C(=NN1)C)O
InChI
InChI=1S/C6H7BN2OS/c1-4-5-2-3-11-6(5)7(10)9-8-4/h2-3,9-10H,1H3
InChIKey
FWNVLTMEXBJHNS-UHFFFAOYSA-N
Compound name
1-hydroxy-4-methyl-2H-thieno[2,3-d]diazaborinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03722 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04450 129.9
[M+Na]+ 189.02644 140.3
[M-H]- 165.02994 130.0
[M+NH4]+ 184.07104 150.6
[M+K]+ 205.00038 136.5
[M+H-H2O]+ 149.03448 124.8
[M+HCOO]- 211.03542 144.2
[M+CH3COO]- 225.05107 143.1
[M+Na-2H]- 187.01189 133.5
[M]+ 166.03667 129.4
[M]- 166.03777 129.4
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.