CID 165984470

2304122-41-4

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CCC1/C=C/C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-6-8(12)4-5-9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+
InChIKey
ALDARGJGKWSOIG-SNAWJCMRSA-N
Compound name
(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 156.4
[M+Na]+ 250.10497 159.5
[M+NH4]+ 245.14957 156.9
[M+K]+ 266.07891 158.8
[M-H]- 226.10847 150.5
[M+Na-2H]- 248.09042 154.4
[M]+ 227.11520 153.5
[M]- 227.11630 153.5
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