CID 9964776

168683-02-1

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5-6,8-9H,7H2,1-4H3,(H,13,15)/t8-,9+/m1/s1
InChIKey
HKLDTKMTZPXEAZ-BDAKNGLRSA-N
Compound name
methyl (1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

241.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.8
[M+Na]+ 264.12063 162.4
[M+NH4]+ 259.16523 161.3
[M+K]+ 280.09457 161.6
[M-H]- 240.12413 154.5
[M+Na-2H]- 262.10608 157.6
[M]+ 241.13086 155.9
[M]- 241.13196 155.9
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