CID 20736582

Tert-butyl 2-acetylazetidine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(=O)C1CCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO3/c1-7(12)8-5-6-11(8)9(13)14-10(2,3)4/h8H,5-6H2,1-4H3
InChIKey
UUYQIFODBYTPSK-UHFFFAOYSA-N
Compound name
tert-butyl 2-acetylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.8
[M+Na]+ 222.110068 151.0
[M-H]- 198.113574 148.0
[M+NH4]+ 217.154673 157.6
[M+K]+ 238.084008 154.4
[M+H-H2O]+ 182.118110 135.2
[M+HCOO]- 244.119051 162.9
[M+CH3COO]- 258.134701 188.4
[M+Na-2H]- 220.095516 148.1
[M]+ 199.12030142 156.0
[M]- 199.12139858 156.0
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