CID 65921280

1259034-35-9

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#C)O
InChI
InChI=1S/C10H15NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h1,13H,6-7H2,2-4H3
InChIKey
VAWFBGXKDDJABY-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

197.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 142.6
[M+Na]+ 220.09442 150.3
[M-H]- 196.09792 142.9
[M+NH4]+ 215.13902 154.3
[M+K]+ 236.06836 152.6
[M+H-H2O]+ 180.10246 128.4
[M+HCOO]- 242.10340 154.3
[M+CH3COO]- 256.11905 191.7
[M+Na-2H]- 218.07987 146.3
[M]+ 197.10465 145.9
[M]- 197.10575 145.9
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