CID 11356602

259214-55-6

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N[C@]1(C[C@@H]1C=C)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m0/s1
InChIKey
RFAQWADNTLIWMG-CPCISQLKSA-N
Compound name
(1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

227.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 153.2
[M+Na]+ 250.10497 161.7
[M+NH4]+ 245.14957 160.0
[M+K]+ 266.07891 159.0
[M-H]- 226.10847 158.2
[M+Na-2H]- 248.09042 158.6
[M]+ 227.11520 156.7
[M]- 227.11630 156.7
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