CID 82418450

4-(2-aminoethyl)pyrimidin-2-amine dihydrochloride

Structural Information

Molecular Formula
C6H10N4
SMILES
C1=CN=C(N=C1CCN)N
InChI
InChI=1S/C6H10N4/c7-3-1-5-2-4-9-6(8)10-5/h2,4H,1,3,7H2,(H2,8,9,10)
InChIKey
RLOFHXHYHSGTTF-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 127.7
[M+Na]+ 161.07977 135.8
[M-H]- 137.08327 128.1
[M+NH4]+ 156.12437 145.9
[M+K]+ 177.05371 133.4
[M+H-H2O]+ 121.08781 120.4
[M+HCOO]- 183.08875 151.5
[M+CH3COO]- 197.10440 177.2
[M+Na-2H]- 159.06522 135.6
[M]+ 138.09000 124.5
[M]- 138.09110 124.5
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