CID 453371

1-(3-azido-5-hydroxymethyl-pyrrolidin)-thymine

Structural Information

Molecular Formula
C10H14N6O3
SMILES
CC1=CN(C(=O)NC1=O)N2C[C@@H]([C@H](C2)N=[N+]=[N-])CO
InChI
InChI=1S/C10H14N6O3/c1-6-2-16(10(19)12-9(6)18)15-3-7(5-17)8(4-15)13-14-11/h2,7-8,17H,3-5H2,1H3,(H,12,18,19)/t7-,8+/m1/s1
InChIKey
RYKPHFSKLDRIEF-SFYZADRCSA-N
Compound name
1-[(3R,4S)-3-azido-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11273 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 156.5
[M+Na]+ 289.10195 164.6
[M-H]- 265.10545 160.4
[M+NH4]+ 284.14655 169.7
[M+K]+ 305.07589 156.0
[M+H-H2O]+ 249.10999 151.9
[M+HCOO]- 311.11093 180.7
[M+CH3COO]- 325.12658 193.9
[M+Na-2H]- 287.08740 163.0
[M]+ 266.11218 152.1
[M]- 266.11328 152.1
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.