CID 165591017

En300-1448636

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)C2(CCC2)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-12(8-14,9(15)16)13(18)5-4-6-13/h18H,4-8H2,1-3H3,(H,15,16)
InChIKey
CEKVPCSNASTLHC-UHFFFAOYSA-N
Compound name
3-(1-hydroxycyclobutyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 165.7
[M+Na]+ 294.13119 167.4
[M-H]- 270.13469 167.7
[M+NH4]+ 289.17579 169.6
[M+K]+ 310.10513 172.6
[M+H-H2O]+ 254.13923 153.1
[M+HCOO]- 316.14017 176.4
[M+CH3COO]- 330.15582 202.2
[M+Na-2H]- 292.11664 167.0
[M]+ 271.14142 181.3
[M]- 271.14252 181.3
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.