CID 54941883

Methyl 2-[1-(cyclohex-3-en-1-yl)-n-(propan-2-yl)formamido]acetate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)N(CC(=O)OC)C(=O)C1CCC=CC1
InChI
InChI=1S/C13H21NO3/c1-10(2)14(9-12(15)17-3)13(16)11-7-5-4-6-8-11/h4-5,10-11H,6-9H2,1-3H3
InChIKey
QEEKEPCBNQMJFY-UHFFFAOYSA-N
Compound name
methyl 2-[cyclohex-3-ene-1-carbonyl(propan-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 157.3
[M+Na]+ 262.141368 160.1
[M-H]- 238.144874 161.1
[M+NH4]+ 257.185973 174.7
[M+K]+ 278.115308 160.9
[M+H-H2O]+ 222.149410 150.4
[M+HCOO]- 284.150351 177.3
[M+CH3COO]- 298.166001 198.1
[M+Na-2H]- 260.126816 157.3
[M]+ 239.15160142 157.2
[M]- 239.15269858 157.2
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.