CID 135471843

Ac1nytbl

Structural Information

Molecular Formula
C8H13N5O
SMILES
CC1=CC(=O)NC(=N1)N=C(N)N(C)C
InChI
InChI=1S/C8H13N5O/c1-5-4-6(14)11-8(10-5)12-7(9)13(2)3/h4H,1-3H3,(H3,9,10,11,12,14)
InChIKey
UBEUFRJKUAYVIJ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11201 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11929 143.0
[M+Na]+ 218.10123 150.8
[M-H]- 194.10473 145.7
[M+NH4]+ 213.14583 159.7
[M+K]+ 234.07517 149.6
[M+H-H2O]+ 178.10927 134.9
[M+HCOO]- 240.11021 167.9
[M+CH3COO]- 254.12586 193.7
[M+Na-2H]- 216.08668 148.4
[M]+ 195.11146 141.6
[M]- 195.11256 141.6
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.