CID 3041747

Pyrimidine, 5-amino-2-butoxy-

Structural Information

Molecular Formula
C8H13N3O
SMILES
CCCCOC1=NC=C(C=N1)N
InChI
InChI=1S/C8H13N3O/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
InChIKey
ZCYLUQUNKIIGEI-UHFFFAOYSA-N
Compound name
2-butoxypyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 135.8
[M+Na]+ 190.09509 143.8
[M-H]- 166.09859 136.3
[M+NH4]+ 185.13969 153.4
[M+K]+ 206.06903 141.9
[M+H-H2O]+ 150.10313 128.2
[M+HCOO]- 212.10407 158.8
[M+CH3COO]- 226.11972 181.0
[M+Na-2H]- 188.08054 143.3
[M]+ 167.10532 136.5
[M]- 167.10642 136.5
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

patents stripe