CID 17749924

4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)ethyl)morpholine

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

618
Patents

307.20673 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21401 168.6
[M+Na]+ 330.19595 175.2
[M-H]- 306.19945 175.7
[M+NH4]+ 325.24055 182.7
[M+K]+ 346.16989 176.4
[M+H-H2O]+ 290.20399 161.1
[M+HCOO]- 352.20493 181.9
[M+CH3COO]- 366.22058 179.4
[M+Na-2H]- 328.18140 169.4
[M]+ 307.20618 169.7
[M]- 307.20728 169.7
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