CID 5369258

Cropropamide

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CCCN(C(CC)C(=O)N(C)C)C(=O)/C=C/C
InChI
InChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3/b9-6+
InChIKey
CYZWCBZIBJLKCV-RMKNXTFCSA-N
Compound name
2-[[(E)-but-2-enoyl]-propylamino]-N,N-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

900
Patents

240.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 161.3
[M+Na]+ 263.17300 167.4
[M+NH4]+ 258.21760 166.6
[M+K]+ 279.14694 163.9
[M-H]- 239.17650 160.2
[M+Na-2H]- 261.15845 162.0
[M]+ 240.18323 161.3
[M]- 240.18433 161.3
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