CID 66762

4-amino-5-aminomethyl-2-methylpyrimidine

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1=NC=C(C(=N1)N)CN
InChI
InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKey
OZOHTVFCSKFMLL-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

436
Patents

138.09055 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 128.4
[M+Na]+ 161.07977 137.5
[M-H]- 137.08327 129.2
[M+NH4]+ 156.12437 146.9
[M+K]+ 177.05371 135.1
[M+H-H2O]+ 121.08781 121.3
[M+HCOO]- 183.08875 152.2
[M+CH3COO]- 197.10440 178.3
[M+Na-2H]- 159.06522 135.4
[M]+ 138.09000 125.5
[M]- 138.09110 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe