CID 10726182

177947-96-5

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C=O
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
InChIKey
JVQOZRRUGOADSU-UHFFFAOYSA-N
Compound name
tert-butyl 3-formylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1640
Patents

185.1052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.2
[M+Na]+ 208.09442 146.1
[M-H]- 184.09792 142.5
[M+NH4]+ 203.13902 152.6
[M+K]+ 224.06836 149.2
[M+H-H2O]+ 168.10246 129.8
[M+HCOO]- 230.10340 158.6
[M+CH3COO]- 244.11905 184.6
[M+Na-2H]- 206.07987 144.3
[M]+ 185.10465 150.7
[M]- 185.10575 150.7
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