CID 452068

N-formyl-cis-4-(thymin-1-yl)-d-prolinol

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](N(C2)C=O)CO
InChI
InChI=1S/C11H15N3O4/c1-7-3-14(11(18)12-10(7)17)8-2-9(5-15)13(4-8)6-16/h3,6,8-9,15H,2,4-5H2,1H3,(H,12,17,18)/t8-,9-/m1/s1
InChIKey
ICRWAWAPFGBVMI-RKDXNWHRSA-N
Compound name
(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.10626 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 154.9
[M+Na]+ 276.09548 164.8
[M-H]- 252.09898 155.9
[M+NH4]+ 271.14008 168.8
[M+K]+ 292.06942 160.4
[M+H-H2O]+ 236.10352 147.2
[M+HCOO]- 298.10446 172.4
[M+CH3COO]- 312.12011 189.1
[M+Na-2H]- 274.08093 155.4
[M]+ 253.10571 154.3
[M]- 253.10681 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.