CID 59238637

1046832-14-7

Structural Information

Molecular Formula
C17H30BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(C)N3CCOCC3
InChI
InChI=1S/C17H30BNO3/c1-15(2)16(3,4)22-18(21-15)14-6-8-17(5,9-7-14)19-10-12-20-13-11-19/h6H,7-13H2,1-5H3
InChIKey
AOADNTJNKRGPPE-UHFFFAOYSA-N
Compound name
4-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

307.23187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23915 169.4
[M+Na]+ 330.22109 174.6
[M-H]- 306.22459 178.7
[M+NH4]+ 325.26569 186.4
[M+K]+ 346.19503 176.2
[M+H-H2O]+ 290.22913 163.0
[M+HCOO]- 352.23007 181.2
[M+CH3COO]- 366.24572 180.2
[M+Na-2H]- 328.20654 172.2
[M]+ 307.23132 167.2
[M]- 307.23242 167.2
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