CID 3017824

(2-aminoethyl)guanidine dihydrochloride

Structural Information

Molecular Formula
C3H10N4
SMILES
C(CN=C(N)N)N
InChI
InChI=1S/C3H10N4/c4-1-2-7-3(5)6/h1-2,4H2,(H4,5,6,7)
InChIKey
MXDAOHAPVWZSQU-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

102.090546 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.09782 119.3
[M+Na]+ 125.07976 124.9
[M-H]- 101.08327 119.8
[M+NH4]+ 120.12437 140.9
[M+K]+ 141.05370 125.1
[M+H-H2O]+ 85.087806 113.3
[M+HCOO]- 147.08875 146.8
[M+CH3COO]- 161.10440 177.8
[M+Na-2H]- 123.06521 124.7
[M]+ 102.09000 113.6
[M]- 102.09109 113.6
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