CID 71757419

1375303-94-8

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N1CC(=CC(=O)O)C1
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h4H,5-6H2,1-3H3,(H,12,13)
InChIKey
WUQWIJLITMLESN-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-ylidene]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.10011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 148.9
[M+Na]+ 236.089328 153.7
[M-H]- 212.092834 149.6
[M+NH4]+ 231.133933 159.2
[M+K]+ 252.063268 156.2
[M+H-H2O]+ 196.097370 138.2
[M+HCOO]- 258.098311 164.8
[M+CH3COO]- 272.113961 186.4
[M+Na-2H]- 234.074776 150.6
[M]+ 213.09956142 157.8
[M]- 213.10065858 157.8
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