CID 657086

3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium

Structural Information

Molecular Formula
C4H12N4O
SMILES
C(CN)CN=C(N)NO
InChI
InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)
InChIKey
HYBLXYGPQAIGPY-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)-1-hydroxyguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

132.1011 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10838 126.5
[M+Na]+ 155.09032 131.3
[M-H]- 131.09382 126.0
[M+NH4]+ 150.13492 146.5
[M+K]+ 171.06426 131.1
[M+H-H2O]+ 115.09836 120.3
[M+HCOO]- 177.09930 153.1
[M+CH3COO]- 191.11495 180.5
[M+Na-2H]- 153.07577 132.0
[M]+ 132.10055 121.6
[M]- 132.10165 121.6
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