CID 79671452

4-(3,3-dimethylazetidin-1-yl)cyclohexan-1-one

Structural Information

Molecular Formula
C11H19NO
SMILES
CC1(CN(C1)C2CCC(=O)CC2)C
InChI
InChI=1S/C11H19NO/c1-11(2)7-12(8-11)9-3-5-10(13)6-4-9/h9H,3-8H2,1-2H3
InChIKey
CWAGRDYHBLGHBG-UHFFFAOYSA-N
Compound name
4-(3,3-dimethylazetidin-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 139.4
[M+Na]+ 204.135888 144.4
[M-H]- 180.139394 144.1
[M+NH4]+ 199.180493 153.7
[M+K]+ 220.109828 145.8
[M+H-H2O]+ 164.143930 128.8
[M+HCOO]- 226.144871 156.5
[M+CH3COO]- 240.160521 185.6
[M+Na-2H]- 202.121336 143.0
[M]+ 181.14612142 143.9
[M]- 181.14721858 143.9
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

No patent data available for this compound.