CID 17749924

864754-18-7

Structural Information

Molecular Formula
C15H26BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCOCC3
InChI
InChI=1S/C15H26BN3O3/c1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18/h11-12H,5-10H2,1-4H3
InChIKey
FBAPTUAEBQMVEY-UHFFFAOYSA-N
Compound name
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

543
Patents

307.20673 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21401 169.6
[M+Na]+ 330.19595 179.9
[M+NH4]+ 325.24055 178.5
[M+K]+ 346.16989 175.9
[M-H]- 306.19945 175.6
[M+Na-2H]- 328.18140 175.0
[M]+ 307.20618 172.9
[M]- 307.20728 172.9
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