CID 35798

31414-53-6

Structural Information

Molecular Formula
C6H11N7
SMILES
CC1=CC(=NC(=N1)N)NN=C(N)N
InChI
InChI=1S/C6H11N7/c1-3-2-4(11-6(9)10-3)12-13-5(7)8/h2H,1H3,(H4,7,8,13)(H3,9,10,11,12)
InChIKey
XFFUXCVIGORZOS-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-methylpyrimidin-4-yl)amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10759 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11487 137.3
[M+Na]+ 204.09681 144.4
[M-H]- 180.10031 139.3
[M+NH4]+ 199.14141 153.3
[M+K]+ 220.07075 142.7
[M+H-H2O]+ 164.10485 128.8
[M+HCOO]- 226.10579 164.2
[M+CH3COO]- 240.12144 195.7
[M+Na-2H]- 202.08226 143.8
[M]+ 181.10704 131.8
[M]- 181.10814 131.8
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

No patent data available for this compound.