CID 3022639

93842-96-7

Structural Information

Molecular Formula
C8H14N4O2
SMILES
C=CCOCC(CN=C(N)NC#N)O
InChI
InChI=1S/C8H14N4O2/c1-2-3-14-5-7(13)4-11-8(10)12-6-9/h2,7,13H,1,3-5H2,(H3,10,11,12)
InChIKey
URELKGWOXTZORQ-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-hydroxy-3-prop-2-enoxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.11168 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.118956 146.1
[M+Na]+ 221.100898 151.5
[M-H]- 197.104404 145.8
[M+NH4]+ 216.145503 161.9
[M+K]+ 237.074838 151.7
[M+H-H2O]+ 181.108940 133.0
[M+HCOO]- 243.109881 166.6
[M+CH3COO]- 257.125531 202.7
[M+Na-2H]- 219.086346 148.8
[M]+ 198.11113142 139.5
[M]- 198.11222858 139.5
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