CID 2831713

92884-66-7

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CN(C)C=NC(=O)CN1CCCC1=O
InChI
InChI=1S/C9H15N3O2/c1-11(2)7-10-8(13)6-12-5-3-4-9(12)14/h7H,3-6H2,1-2H3
InChIKey
NPTHSUNYHJGRLM-UHFFFAOYSA-N
Compound name
N-(dimethylaminomethylidene)-2-(2-oxopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

197.11642 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 144.1
[M+Na]+ 220.105638 149.7
[M-H]- 196.109144 148.7
[M+NH4]+ 215.150243 164.4
[M+K]+ 236.079578 150.3
[M+H-H2O]+ 180.113680 136.7
[M+HCOO]- 242.114621 169.3
[M+CH3COO]- 256.130271 192.7
[M+Na-2H]- 218.091086 146.6
[M]+ 197.11587142 144.3
[M]- 197.11696858 144.3
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