CID 133057545

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C11H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC(=C2)C#N
InChI
InChI=1S/C11H15BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-9(6-13)14-7-8/h5,7,14H,1-4H3
InChIKey
DAHNKHLEYXTWQW-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12995 139.9
[M+Na]+ 241.11189 152.1
[M-H]- 217.11539 144.8
[M+NH4]+ 236.15649 159.5
[M+K]+ 257.08583 148.9
[M+H-H2O]+ 201.11993 128.8
[M+HCOO]- 263.12087 156.4
[M+CH3COO]- 277.13652 196.4
[M+Na-2H]- 239.09734 144.5
[M]+ 218.12212 136.5
[M]- 218.12322 136.5
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.