CID 10715

Apronal

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)C(CC=C)C(=O)NC(=O)N
InChI
InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
InChIKey
KSUUMAWCGDNLFK-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-propan-2-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

61
References

951
Patents

184.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 144.9
[M+Na]+ 207.11041 150.8
[M+NH4]+ 202.15501 150.1
[M+K]+ 223.08435 148.2
[M-H]- 183.11391 143.0
[M+Na-2H]- 205.09586 145.2
[M]+ 184.12064 144.5
[M]- 184.12174 144.5
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