CID 89901

Guanidine, n-cyano-n'-(methoxymethyl)-

Structural Information

Molecular Formula
C4H8N4O
SMILES
COCN=C(N)NC#N
InChI
InChI=1S/C4H8N4O/c1-9-3-8-4(6)7-2-5/h3H2,1H3,(H3,6,7,8)
InChIKey
RSKNWCGKYIHOGS-UHFFFAOYSA-N
Compound name
1-cyano-2-(methoxymethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

128.06981 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 125.9
[M+Na]+ 151.05903 133.3
[M-H]- 127.06253 127.4
[M+NH4]+ 146.10363 145.1
[M+K]+ 167.03297 134.6
[M+H-H2O]+ 111.06707 113.4
[M+HCOO]- 173.06801 149.4
[M+CH3COO]- 187.08366 192.2
[M+Na-2H]- 149.04448 132.2
[M]+ 128.06926 119.7
[M]- 128.07036 119.7
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

patents stripe