CID 9571328

N-cyano-n',n''-bis(methoxymethyl)guanidine

Structural Information

Molecular Formula
C6H12N4O2
SMILES
COCN/C(=N/COC)/NC#N
InChI
InChI=1S/C6H12N4O2/c1-11-4-9-6(8-3-7)10-5-12-2/h4-5H2,1-2H3,(H2,8,9,10)
InChIKey
UAITYSAJVWQMCH-UHFFFAOYSA-N
Compound name
1-cyano-2,3-bis(methoxymethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

172.09602 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 135.1
[M+Na]+ 195.085238 141.6
[M-H]- 171.088744 136.6
[M+NH4]+ 190.129843 152.9
[M+K]+ 211.059178 143.3
[M+H-H2O]+ 155.093280 122.0
[M+HCOO]- 217.094221 158.8
[M+CH3COO]- 231.109871 199.5
[M+Na-2H]- 193.070686 141.5
[M]+ 172.09547142 131.7
[M]- 172.09656858 131.7
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.