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 153.7
[M+Na]+ 250.10497 158.0
[M-H]- 226.10847 154.1
[M+NH4]+ 245.14957 163.4
[M+K]+ 266.07891 160.3
[M+H-H2O]+ 210.11301 142.7
[M+HCOO]- 272.11395 169.2
[M+CH3COO]- 286.12960 189.3
[M+Na-2H]- 248.09042 154.8
[M]+ 227.11520 162.9
[M]- 227.11630 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