CID 44755180

1073372-03-8

Structural Information

Molecular Formula
C16H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N3CCOCC3)C
InChI
InChI=1S/C16H25BN2O3/c1-12-10-13(17-21-15(2,3)16(4,5)22-17)11-18-14(12)19-6-8-20-9-7-19/h10-11H,6-9H2,1-5H3
InChIKey
DGVAEMVUOIETDY-UHFFFAOYSA-N
Compound name
4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

304.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20311 169.5
[M+Na]+ 327.18505 177.1
[M-H]- 303.18855 178.4
[M+NH4]+ 322.22965 183.7
[M+K]+ 343.15899 178.0
[M+H-H2O]+ 287.19309 161.7
[M+HCOO]- 349.19403 183.1
[M+CH3COO]- 363.20968 180.9
[M+Na-2H]- 325.17050 172.2
[M]+ 304.19528 170.2
[M]- 304.19638 170.2
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