CID 378781

Nsc661956

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1=CN(C(=O)NC1=O)C2CCC3(C2C3)CO
InChI
InChI=1S/C12H16N2O3/c1-7-5-14(11(17)13-10(7)16)9-2-3-12(6-15)4-8(9)12/h5,8-9,15H,2-4,6H2,1H3,(H,13,16,17)
InChIKey
WLRHILULRIFIOO-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 156.0
[M+Na]+ 259.10531 168.3
[M-H]- 235.10881 159.9
[M+NH4]+ 254.14991 170.3
[M+K]+ 275.07925 162.3
[M+H-H2O]+ 219.11335 150.4
[M+HCOO]- 281.11429 173.8
[M+CH3COO]- 295.12994 189.1
[M+Na-2H]- 257.09076 159.5
[M]+ 236.11554 158.5
[M]- 236.11664 158.5
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.