CID 165883812

En300-39868848

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-6-8(7-14)9-4-5-10(18-9)11(15)16/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKey
YVLHUCQWPQJTDQ-UHFFFAOYSA-N
Compound name
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1107 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 157.2
[M+Na]+ 290.09992 161.8
[M-H]- 266.10342 161.9
[M+NH4]+ 285.14452 165.6
[M+K]+ 306.07386 165.4
[M+H-H2O]+ 250.10796 146.1
[M+HCOO]- 312.10890 173.4
[M+CH3COO]- 326.12455 195.8
[M+Na-2H]- 288.08537 158.3
[M]+ 267.11015 168.5
[M]- 267.11125 168.5
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

No patent data available for this compound.