CID 59569585

1254945-60-2

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(COC)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-11(6-12,7-16-4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey
UTOOCYALFSVPKF-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.12633 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 157.3
[M+Na]+ 268.11555 161.9
[M-H]- 244.11905 158.0
[M+NH4]+ 263.16015 168.2
[M+K]+ 284.08949 165.5
[M+H-H2O]+ 228.12359 147.7
[M+HCOO]- 290.12453 172.8
[M+CH3COO]- 304.14018 192.5
[M+Na-2H]- 266.10100 159.9
[M]+ 245.12578 169.1
[M]- 245.12688 169.1
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