CID 135854962

6-amino-5-octyl-4-pyrimidinol

Structural Information

Molecular Formula
C12H21N3O
SMILES
CCCCCCCCC1=C(N=CNC1=O)N
InChI
InChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-10-11(13)14-9-15-12(10)16/h9H,2-8H2,1H3,(H3,13,14,15,16)
InChIKey
ZOFTYDLHHHXHLA-UHFFFAOYSA-N
Compound name
4-amino-5-octyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.175736 153.8
[M+Na]+ 246.157678 160.9
[M-H]- 222.161184 152.6
[M+NH4]+ 241.202283 168.7
[M+K]+ 262.131618 156.4
[M+H-H2O]+ 206.165720 146.0
[M+HCOO]- 268.166661 174.1
[M+CH3COO]- 282.182311 190.9
[M+Na-2H]- 244.143126 157.8
[M]+ 223.16791142 153.7
[M]- 223.16900858 153.7
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.