CID 155971136

2246762-67-2

Structural Information

Molecular Formula
C13H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CCCOC
InChI
InChI=1S/C13H23BN2O3/c1-12(2)13(3,4)19-14(18-12)11-7-8-15-16(11)9-6-10-17-5/h7-8H,6,9-10H2,1-5H3
InChIKey
BDWSJCUURAAHQD-UHFFFAOYSA-N
Compound name
1-(3-methoxypropyl)-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

0
Patents

266.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.187456 155.3
[M+Na]+ 289.169398 164.4
[M-H]- 265.172904 161.1
[M+NH4]+ 284.214003 174.7
[M+K]+ 305.143338 165.2
[M+H-H2O]+ 249.177440 150.1
[M+HCOO]- 311.178381 174.7
[M+CH3COO]- 325.194031 196.6
[M+Na-2H]- 287.154846 159.0
[M]+ 266.17963142 161.6
[M]- 266.18072858 161.6
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.