CID 72207789

1-boc-3-ethynyl-3-methylazetidine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C11H17NO2/c1-6-11(5)7-12(8-11)9(13)14-10(2,3)4/h1H,7-8H2,2-5H3
InChIKey
RABXYAIWJAIARE-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 142.0
[M+Na]+ 218.11515 149.9
[M-H]- 194.11865 143.5
[M+NH4]+ 213.15975 154.5
[M+K]+ 234.08909 152.2
[M+H-H2O]+ 178.12319 127.6
[M+HCOO]- 240.12413 154.6
[M+CH3COO]- 254.13978 194.8
[M+Na-2H]- 216.10060 145.8
[M]+ 195.12538 146.0
[M]- 195.12648 146.0
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