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

4
Patents

227.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 153.7
[M+Na]+ 250.104968 158.0
[M-H]- 226.108474 154.1
[M+NH4]+ 245.149573 163.4
[M+K]+ 266.078908 160.3
[M+H-H2O]+ 210.113010 142.7
[M+HCOO]- 272.113951 169.2
[M+CH3COO]- 286.129601 189.3
[M+Na-2H]- 248.090416 154.8
[M]+ 227.11520142 162.9
[M]- 227.11629858 162.9
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