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 149.5
[M+Na]+ 250.10497 157.8
[M-H]- 226.10847 153.0
[M+NH4]+ 245.14957 164.2
[M+K]+ 266.07891 155.8
[M+H-H2O]+ 210.11301 145.9
[M+HCOO]- 272.11395 169.1
[M+CH3COO]- 286.12960 192.0
[M+Na-2H]- 248.09042 153.7
[M]+ 227.11520 154.0
[M]- 227.11630 154.0
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