CID 86278326

Unii-f90927papu

Structural Information

Molecular Formula
C13H23N2O4P
SMILES
CCOP(=O)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C
InChI
InChI=1S/C13H23N2O4P/c1-7-17-20(16,18-10(2)3)19-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
InChIKey
NSBHSXGDEXQVTQ-UHFFFAOYSA-N
Compound name
(2-tert-butylpyrimidin-5-yl) ethyl propan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.13956 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14684 173.9
[M+Na]+ 325.12878 180.3
[M-H]- 301.13228 173.6
[M+NH4]+ 320.17338 187.0
[M+K]+ 341.10272 180.2
[M+H-H2O]+ 285.13682 164.1
[M+HCOO]- 347.13776 196.3
[M+CH3COO]- 361.15341 205.1
[M+Na-2H]- 323.11423 176.5
[M]+ 302.13901 181.1
[M]- 302.14011 181.1
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.