CID 452441

131652-69-2

Structural Information

Molecular Formula
C9H13N5O3
SMILES
CC1=CN(C(=O)NC1=O)CC[C@H](CO)N=[N+]=[N-]
InChI
InChI=1S/C9H13N5O3/c1-6-4-14(9(17)11-8(6)16)3-2-7(5-15)12-13-10/h4,7,15H,2-3,5H2,1H3,(H,11,16,17)/t7-/m1/s1
InChIKey
HAWPKWOZTPNXNE-SSDOTTSWSA-N
Compound name
1-[(3R)-3-azido-4-hydroxybutyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10912 148.7
[M+Na]+ 262.09106 156.6
[M-H]- 238.09456 150.4
[M+NH4]+ 257.13566 162.7
[M+K]+ 278.06500 148.9
[M+H-H2O]+ 222.09910 145.2
[M+HCOO]- 284.10004 174.5
[M+CH3COO]- 298.11569 189.8
[M+Na-2H]- 260.07651 157.2
[M]+ 239.10129 146.9
[M]- 239.10239 146.9
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.