CID 126170

Guanidinooxypropylamine

Structural Information

Molecular Formula
C4H12N4O
SMILES
C(CN)CON=C(N)N
InChI
InChI=1S/C4H12N4O/c5-2-1-3-9-8-4(6)7/h1-3,5H2,(H4,6,7,8)
InChIKey
JGMONYLSKFKAJN-UHFFFAOYSA-N
Compound name
2-(3-aminopropoxy)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

132.1011 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.108376 126.0
[M+Na]+ 155.090318 131.1
[M-H]- 131.093824 126.3
[M+NH4]+ 150.134923 146.4
[M+K]+ 171.064258 131.5
[M+H-H2O]+ 115.098360 119.5
[M+HCOO]- 177.099301 153.4
[M+CH3COO]- 191.114951 183.0
[M+Na-2H]- 153.075766 131.0
[M]+ 132.10055142 122.0
[M]- 132.10164858 122.0
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