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]+ 249.176876 152.0
[M+Na]+ 271.158818 161.4
[M-H]- 247.162324 158.1
[M+NH4]+ 266.203423 172.1
[M+K]+ 287.132758 161.6
[M+H-H2O]+ 231.166860 147.2
[M+HCOO]- 293.167801 170.5
[M+CH3COO]- 307.183451 194.0
[M+Na-2H]- 269.144266 154.4
[M]+ 248.16905142 155.5
[M]- 248.17014858 155.5
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.