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]+ 214.10739 148.9
[M+Na]+ 236.08933 153.7
[M-H]- 212.09283 149.6
[M+NH4]+ 231.13393 159.2
[M+K]+ 252.06327 156.2
[M+H-H2O]+ 196.09737 138.2
[M+HCOO]- 258.09831 164.8
[M+CH3COO]- 272.11396 186.4
[M+Na-2H]- 234.07478 150.6
[M]+ 213.09956 157.8
[M]- 213.10066 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