CID 155822655

2012859-63-9

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CCC=C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-5-6-7-13(10(15)16)8-14(9-13)11(17)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)
InChIKey
SVRRJUXDIMQIIO-UHFFFAOYSA-N
Compound name
3-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 163.2
[M+Na]+ 278.136278 167.5
[M-H]- 254.139784 163.6
[M+NH4]+ 273.180883 173.7
[M+K]+ 294.110218 169.4
[M+H-H2O]+ 238.144320 153.5
[M+HCOO]- 300.145261 178.0
[M+CH3COO]- 314.160911 195.4
[M+Na-2H]- 276.121726 164.6
[M]+ 255.14651142 173.6
[M]- 255.14760858 173.6
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