CID 67193995

1301198-65-1

Structural Information

Molecular Formula
C11H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)COC
InChI
InChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)9-6-13-14(7-9)8-15-5/h6-7H,8H2,1-5H3
InChIKey
PEEYHAPMXMTNHS-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

238.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15616 146.3
[M+Na]+ 261.13810 156.2
[M-H]- 237.14160 152.4
[M+NH4]+ 256.18270 166.7
[M+K]+ 277.11204 157.5
[M+H-H2O]+ 221.14614 141.4
[M+HCOO]- 283.14708 166.3
[M+CH3COO]- 297.16273 190.7
[M+Na-2H]- 259.12355 150.9
[M]+ 238.14833 151.8
[M]- 238.14943 151.8
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