CID 14821735

Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N1CCC1C(=O)OC
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-5-7(11)8(12)14-4/h7H,5-6H2,1-4H3
InChIKey
FGWUDHZVEBFGKS-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

215.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 148.3
[M+Na]+ 238.104968 153.3
[M-H]- 214.108474 150.4
[M+NH4]+ 233.149573 159.4
[M+K]+ 254.078908 157.3
[M+H-H2O]+ 198.113010 137.4
[M+HCOO]- 260.113951 165.6
[M+CH3COO]- 274.129601 189.8
[M+Na-2H]- 236.090416 150.7
[M]+ 215.11520142 159.8
[M]- 215.11629858 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

No literature data available for this compound.

Patent stripe

patents stripe