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]+ 306.19835 167.2
[M+Na]+ 328.18029 175.3
[M-H]- 304.18379 173.5
[M+NH4]+ 323.22489 182.5
[M+K]+ 344.15423 174.5
[M+H-H2O]+ 288.18833 160.0
[M+HCOO]- 350.18927 181.7
[M+CH3COO]- 364.20492 178.3
[M+Na-2H]- 326.16574 167.8
[M]+ 305.19052 168.0
[M]- 305.19162 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.