CID 66510104

4-(azetidin-3-yl)pyrimidin-2-amine dihydrochloride

Structural Information

Molecular Formula
C7H10N4
SMILES
C1C(CN1)C2=NC(=NC=C2)N
InChI
InChI=1S/C7H10N4/c8-7-10-2-1-6(11-7)5-3-9-4-5/h1-2,5,9H,3-4H2,(H2,8,10,11)
InChIKey
AIPFQNRTPRQSBZ-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.09055 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 132.2
[M+Na]+ 173.07977 138.6
[M-H]- 149.08327 132.8
[M+NH4]+ 168.12437 141.7
[M+K]+ 189.05371 138.5
[M+H-H2O]+ 133.08781 118.4
[M+HCOO]- 195.08875 150.5
[M+CH3COO]- 209.10440 178.0
[M+Na-2H]- 171.06522 139.0
[M]+ 150.09000 135.5
[M]- 150.09110 135.5
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

patents stripe