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
trans-(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

124
Patents

227.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 149.5
[M+Na]+ 250.104968 157.8
[M-H]- 226.108474 153.0
[M+NH4]+ 245.149573 164.2
[M+K]+ 266.078908 155.8
[M+H-H2O]+ 210.113010 145.9
[M+HCOO]- 272.113951 169.1
[M+CH3COO]- 286.129601 192.0
[M+Na-2H]- 248.090416 153.7
[M]+ 227.11520142 154.0
[M]- 227.11629858 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