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]+ 236.15059 156.6
[M+Na]+ 258.13253 162.4
[M-H]- 234.13603 161.1
[M+NH4]+ 253.17713 173.3
[M+K]+ 274.10647 162.5
[M+H-H2O]+ 218.14057 141.2
[M+HCOO]- 280.14151 177.9
[M+CH3COO]- 294.15716 214.9
[M+Na-2H]- 256.11798 157.3
[M]+ 235.14276 150.9
[M]- 235.14386 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.