CID 112703775

N1-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C6H9FN4
SMILES
C1=C(C=NC(=N1)NCCN)F
InChI
InChI=1S/C6H9FN4/c7-5-3-10-6(11-4-5)9-2-1-8/h3-4H,1-2,8H2,(H,9,10,11)
InChIKey
YHZHOCBFNHZPNF-UHFFFAOYSA-N
Compound name
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.08113 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08841 129.5
[M+Na]+ 179.07035 137.5
[M-H]- 155.07385 128.9
[M+NH4]+ 174.11495 147.1
[M+K]+ 195.04429 135.1
[M+H-H2O]+ 139.07839 121.0
[M+HCOO]- 201.07933 152.8
[M+CH3COO]- 215.09498 180.5
[M+Na-2H]- 177.05580 137.8
[M]+ 156.08058 126.1
[M]- 156.08168 126.1
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