CID 138039596

1-methyl-5-[1-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-1h-pyrazole

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(/C)\C2=CC=NN2C
InChI
InChI=1S/C13H21BN2O2/c1-10(11-7-8-15-16(11)6)9-14-17-12(2,3)13(4,5)18-14/h7-9H,1-6H3/b10-9-
InChIKey
ZIQHOBWNAVAZCO-KTKRTIGZSA-N
Compound name
1-methyl-5-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 154.7
[M+Na]+ 271.15882 165.3
[M+NH4]+ 266.20342 164.1
[M+K]+ 287.13276 161.1
[M-H]- 247.16232 158.2
[M+Na-2H]- 269.14427 160.4
[M]+ 248.16905 157.4
[M]- 248.17015 157.4
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.