CID 78505

N,n',n''-methylidynetrisformamide

Structural Information

Molecular Formula
C4H7N3O3
SMILES
C(=O)NC(NC=O)NC=O
InChI
InChI=1S/C4H7N3O3/c8-1-5-4(6-2-9)7-3-10/h1-4H,(H,5,8)(H,6,9)(H,7,10)
InChIKey
HNPCDFJZADHNHD-UHFFFAOYSA-N
Compound name
N-(diformamidomethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

145.04874 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.05602 125.2
[M+Na]+ 168.03796 131.0
[M-H]- 144.04146 125.6
[M+NH4]+ 163.08256 145.1
[M+K]+ 184.01190 131.2
[M+H-H2O]+ 128.04600 119.1
[M+HCOO]- 190.04694 152.8
[M+CH3COO]- 204.06259 180.2
[M+Na-2H]- 166.02341 132.7
[M]+ 145.04819 124.7
[M]- 145.04929 124.7
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