CID 82618757

1521114-14-6

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-8(7-12)4-5-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
TUYWARXNNONHLS-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

229.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 154.8
[M+Na]+ 252.12063 158.7
[M-H]- 228.12413 155.1
[M+NH4]+ 247.16523 164.4
[M+K]+ 268.09457 161.6
[M+H-H2O]+ 212.12867 143.7
[M+HCOO]- 274.12961 170.1
[M+CH3COO]- 288.14526 190.8
[M+Na-2H]- 250.10608 155.9
[M]+ 229.13086 164.7
[M]- 229.13196 164.7
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