CID 79671609

1507049-47-9

Structural Information

Molecular Formula
C12H21NO
SMILES
CC(C)C1CN(C1)C2CCC(=O)CC2
InChI
InChI=1S/C12H21NO/c1-9(2)10-7-13(8-10)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3
InChIKey
GKAGTPIMTNVHBK-UHFFFAOYSA-N
Compound name
4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 147.5
[M+Na]+ 218.15153 153.5
[M+NH4]+ 213.19613 151.9
[M+K]+ 234.12547 149.4
[M-H]- 194.15503 147.3
[M+Na-2H]- 216.13698 149.5
[M]+ 195.16176 146.9
[M]- 195.16286 146.9
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.