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]+ 151.097826 132.2
[M+Na]+ 173.079768 138.6
[M-H]- 149.083274 132.8
[M+NH4]+ 168.124373 141.7
[M+K]+ 189.053708 138.5
[M+H-H2O]+ 133.087810 118.4
[M+HCOO]- 195.088751 150.5
[M+CH3COO]- 209.104401 178.0
[M+Na-2H]- 171.065216 139.0
[M]+ 150.09000142 135.5
[M]- 150.09109858 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