CID 243333

2-amino-cyclopent-1-enecarboxylic acid ethyl ester

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)C1=C(CCC1)N
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h2-5,9H2,1H3
InChIKey
FMEHILPGLKGSCA-UHFFFAOYSA-N
Compound name
ethyl 2-aminocyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

155.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.5
[M+Na]+ 178.08386 140.2
[M-H]- 154.08736 136.6
[M+NH4]+ 173.12846 155.8
[M+K]+ 194.05780 139.4
[M+H-H2O]+ 138.09190 128.0
[M+HCOO]- 200.09284 157.6
[M+CH3COO]- 214.10849 177.3
[M+Na-2H]- 176.06931 136.2
[M]+ 155.09409 132.2
[M]- 155.09519 132.2
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