CID 3074557

2-(cyanoimino)-n-(1-(dimethylamino)ethylidene)-1-pyrrolidineacetamide

Structural Information

Molecular Formula
C11H17N5O
SMILES
CC(=NC(=O)CN1CCCC1=NC#N)N(C)C
InChI
InChI=1S/C11H17N5O/c1-9(15(2)3)14-11(17)7-16-6-4-5-10(16)13-8-12/h4-7H2,1-3H3
InChIKey
QZIWOGKNPJLBNK-UHFFFAOYSA-N
Compound name
2-(2-cyanoiminopyrrolidin-1-yl)-N-[1-(dimethylamino)ethylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.14331 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.150586 156.6
[M+Na]+ 258.132528 162.4
[M-H]- 234.136034 161.1
[M+NH4]+ 253.177133 173.3
[M+K]+ 274.106468 162.5
[M+H-H2O]+ 218.140570 141.2
[M+HCOO]- 280.141511 177.9
[M+CH3COO]- 294.157161 214.9
[M+Na-2H]- 256.117976 157.3
[M]+ 235.14276142 150.9
[M]- 235.14385858 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.