CID 45787283

1375301-91-9

Structural Information

Molecular Formula
C13H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C3CC3
InChI
InChI=1S/C13H19BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-15-11(16-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKey
DVGWUOHIWJBHKY-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

246.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16124 156.5
[M+Na]+ 269.14318 167.5
[M-H]- 245.14668 166.1
[M+NH4]+ 264.18778 169.8
[M+K]+ 285.11712 168.0
[M+H-H2O]+ 229.15122 149.8
[M+HCOO]- 291.15216 174.3
[M+CH3COO]- 305.16781 169.3
[M+Na-2H]- 267.12863 161.6
[M]+ 246.15341 161.7
[M]- 246.15451 161.7
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