CID 91670314

Tert-butyl 1,2-dihydroazete-1-carboxylate

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)(C)OC(=O)N1CC=C1
InChI
InChI=1S/C8H13NO2/c1-8(2,3)11-7(10)9-5-4-6-9/h4-5H,6H2,1-3H3
InChIKey
WXEOUSQBCNRCJO-UHFFFAOYSA-N
Compound name
tert-butyl 2H-azete-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.2
[M+Na]+ 178.08386 139.6
[M-H]- 154.08736 135.6
[M+NH4]+ 173.12846 146.8
[M+K]+ 194.05780 142.7
[M+H-H2O]+ 138.09190 122.7
[M+HCOO]- 200.09284 153.0
[M+CH3COO]- 214.10849 179.1
[M+Na-2H]- 176.06931 139.3
[M]+ 155.09409 143.6
[M]- 155.09519 143.6
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