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]+ 139.097826 127.7
[M+Na]+ 161.079768 135.8
[M-H]- 137.083274 128.1
[M+NH4]+ 156.124373 145.9
[M+K]+ 177.053708 133.4
[M+H-H2O]+ 121.087810 120.4
[M+HCOO]- 183.088751 151.5
[M+CH3COO]- 197.104401 177.2
[M+Na-2H]- 159.065216 135.6
[M]+ 138.09000142 124.5
[M]- 138.09109858 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