CID 6500

Tabun

Structural Information

Molecular Formula
C5H11N2O2P
SMILES
CCOP(=O)(C#N)N(C)C
InChI
InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3
InChIKey
PJVJTCIRVMBVIA-UHFFFAOYSA-N
Compound name
[dimethylamino(ethoxy)phosphoryl]formonitrile
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

354
References

3251
Patents

162.05582 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.063096 128.7
[M+Na]+ 185.045038 137.4
[M-H]- 161.048544 130.0
[M+NH4]+ 180.089643 148.4
[M+K]+ 201.018978 139.2
[M+H-H2O]+ 145.053080 115.6
[M+HCOO]- 207.054021 154.6
[M+CH3COO]- 221.069671 196.1
[M+Na-2H]- 183.030486 133.3
[M]+ 162.05527142 128.2
[M]- 162.05636858 128.2
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