CID 494467

(1r,4s)-rel-4-(acetylamino)-2-cyclopentene-1-carboxylic acid methyl ester

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC(=O)NC1CC(C=C1)C(=O)OC
InChI
InChI=1S/C9H13NO3/c1-6(11)10-8-4-3-7(5-8)9(12)13-2/h3-4,7-8H,5H2,1-2H3,(H,10,11)
InChIKey
NEJBWENICROWTO-UHFFFAOYSA-N
Compound name
methyl 4-acetamidocyclopent-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.08954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 139.8
[M+Na]+ 206.07876 146.2
[M-H]- 182.08226 143.5
[M+NH4]+ 201.12336 161.1
[M+K]+ 222.05270 145.9
[M+H-H2O]+ 166.08680 134.2
[M+HCOO]- 228.08774 163.7
[M+CH3COO]- 242.10339 182.4
[M+Na-2H]- 204.06421 142.0
[M]+ 183.08899 140.0
[M]- 183.09009 140.0
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

patents stripe