CID 89534490

Tert-butyl 3-formyl-3-methylazetidine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C10H17NO3/c1-9(2,3)14-8(13)11-5-10(4,6-11)7-12/h7H,5-6H2,1-4H3
InChIKey
AXFUKHQJEUFDJP-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

199.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.3
[M+Na]+ 222.110068 151.6
[M-H]- 198.113574 147.8
[M+NH4]+ 217.154673 159.2
[M+K]+ 238.084008 154.6
[M+H-H2O]+ 182.118110 136.2
[M+HCOO]- 244.119051 163.4
[M+CH3COO]- 258.134701 187.1
[M+Na-2H]- 220.095516 150.1
[M]+ 199.12030142 156.5
[M]- 199.12139858 156.5
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