CID 123

Tiformin

Structural Information

Molecular Formula
C5H12N4O
SMILES
C(CC(=O)N)CN=C(N)N
InChI
InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)
InChIKey
YHVFECVVGNXFKO-UHFFFAOYSA-N
Compound name
4-(diaminomethylideneamino)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

233
Patents

144.1011 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10838 130.9
[M+Na]+ 167.09032 135.7
[M-H]- 143.09382 131.1
[M+NH4]+ 162.13492 150.7
[M+K]+ 183.06426 135.7
[M+H-H2O]+ 127.09836 124.4
[M+HCOO]- 189.09930 157.2
[M+CH3COO]- 203.11495 186.1
[M+Na-2H]- 165.07577 134.0
[M]+ 144.10055 125.9
[M]- 144.10165 125.9
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