CID 43457

60752-91-2

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CNC(=O)OC1CN(C1)C2(CCCCC2)C#C
InChI
InChI=1S/C13H20N2O2/c1-3-13(7-5-4-6-8-13)15-9-11(10-15)17-12(16)14-2/h1,11H,4-10H2,2H3,(H,14,16)
InChIKey
SOSMGEUIGGCXLZ-UHFFFAOYSA-N
Compound name
[1-(1-ethynylcyclohexyl)azetidin-3-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 150.6
[M+Na]+ 259.14170 155.5
[M-H]- 235.14520 153.0
[M+NH4]+ 254.18630 160.5
[M+K]+ 275.11564 155.8
[M+H-H2O]+ 219.14974 133.6
[M+HCOO]- 281.15068 162.3
[M+CH3COO]- 295.16633 201.6
[M+Na-2H]- 257.12715 152.6
[M]+ 236.15193 149.0
[M]- 236.15303 149.0
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

No patent data available for this compound.