CID 44607627

610791-05-4

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)OC
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-5-7(6-11)8(12)14-4/h7H,5-6H2,1-4H3
InChIKey
SECFRXGVLMVUPD-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl azetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

215.11575 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 148.3
[M+Na]+ 238.10497 153.3
[M-H]- 214.10847 150.4
[M+NH4]+ 233.14957 159.4
[M+K]+ 254.07891 157.3
[M+H-H2O]+ 198.11301 137.4
[M+HCOO]- 260.11395 165.6
[M+CH3COO]- 274.12960 189.8
[M+Na-2H]- 236.09042 150.7
[M]+ 215.11520 159.8
[M]- 215.11630 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe