CID 105489057

1780970-70-8

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)OC
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-10(6-11,15-4)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKey
RDCWOPRWTAQCRG-UHFFFAOYSA-N
Compound name
3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

231.11067 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 152.7
[M+Na]+ 254.09989 157.6
[M-H]- 230.10339 153.5
[M+NH4]+ 249.14449 164.1
[M+K]+ 270.07383 161.5
[M+H-H2O]+ 214.10793 143.3
[M+HCOO]- 276.10887 168.5
[M+CH3COO]- 290.12452 189.6
[M+Na-2H]- 252.08534 155.8
[M]+ 231.11012 164.1
[M]- 231.11122 164.1
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