CID 71633879

1421325-54-3

Structural Information

Molecular Formula
C15H24BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCC(C3)CO
InChI
InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-7-17-13(18-8-12)19-6-5-11(9-19)10-20/h7-8,11,20H,5-6,9-10H2,1-4H3
InChIKey
CBJLGRBASUBXGK-UHFFFAOYSA-N
Compound name
[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.19107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.198346 167.2
[M+Na]+ 328.180288 175.3
[M-H]- 304.183794 173.5
[M+NH4]+ 323.224893 182.5
[M+K]+ 344.154228 174.5
[M+H-H2O]+ 288.188330 160.0
[M+HCOO]- 350.189271 181.7
[M+CH3COO]- 364.204921 178.3
[M+Na-2H]- 326.165736 167.8
[M]+ 305.19052142 168.0
[M]- 305.19161858 168.0
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

No patent data available for this compound.