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

247
Patents

215.11575 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe