CID 38263

5699-40-1

Structural Information

Molecular Formula
C3H7N3O
SMILES
CC(=O)N=C(N)N
InChI
InChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)
InChIKey
NGGXACLSAZXJGM-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1608
Patents

101.058914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.066190 119.0
[M+Na]+ 124.048132 125.5
[M-H]- 100.051638 120.2
[M+NH4]+ 119.092737 141.2
[M+K]+ 140.022072 126.3
[M+H-H2O]+ 84.056174 113.5
[M+HCOO]- 146.057115 145.6
[M+CH3COO]- 160.072765 174.5
[M+Na-2H]- 122.033580 123.9
[M]+ 101.05836542 115.0
[M]- 101.05946258 115.0
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