CID 84763

Guanidine, (2,2-diethoxyethyl)-, sulfate (1:1)

Structural Information

Molecular Formula
C7H17N3O2
SMILES
CCOC(CN=C(N)N)OCC
InChI
InChI=1S/C7H17N3O2/c1-3-11-6(12-4-2)5-10-7(8)9/h6H,3-5H2,1-2H3,(H4,8,9,10)
InChIKey
ZLOPIFKNSKCBBQ-UHFFFAOYSA-N
Compound name
2-(2,2-diethoxyethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

175.13208 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.13936 140.7
[M+Na]+ 198.12130 145.1
[M-H]- 174.12480 141.1
[M+NH4]+ 193.16590 160.0
[M+K]+ 214.09524 146.0
[M+H-H2O]+ 158.12934 134.1
[M+HCOO]- 220.13028 166.0
[M+CH3COO]- 234.14593 190.5
[M+Na-2H]- 196.10675 143.6
[M]+ 175.13153 140.4
[M]- 175.13263 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe