CID 56776711

2019997-41-0

Structural Information

Molecular Formula
C13H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CC3CC3
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-7-8-15-16(11)9-10-5-6-10/h7-8,10H,5-6,9H2,1-4H3
InChIKey
BDBAOKHZOZINLR-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

248.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17688 157.2
[M+Na]+ 271.15882 170.2
[M+NH4]+ 266.20342 168.2
[M+K]+ 287.13276 166.5
[M-H]- 247.16232 169.7
[M+Na-2H]- 269.14427 166.9
[M]+ 248.16905 164.1
[M]- 248.17015 164.1
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

patents stripe