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]+ 133.10838 126.0
[M+Na]+ 155.09032 131.1
[M-H]- 131.09382 126.3
[M+NH4]+ 150.13492 146.4
[M+K]+ 171.06426 131.5
[M+H-H2O]+ 115.09836 119.5
[M+HCOO]- 177.09930 153.4
[M+CH3COO]- 191.11495 183.0
[M+Na-2H]- 153.07577 131.0
[M]+ 132.10055 122.0
[M]- 132.10165 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.