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]+ 182.15395 139.4
[M+Na]+ 204.13589 144.4
[M-H]- 180.13939 144.1
[M+NH4]+ 199.18049 153.7
[M+K]+ 220.10983 145.8
[M+H-H2O]+ 164.14393 128.8
[M+HCOO]- 226.14487 156.5
[M+CH3COO]- 240.16052 185.6
[M+Na-2H]- 202.12134 143.0
[M]+ 181.14612 143.9
[M]- 181.14722 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.