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 144.3
[M+Na]+ 218.15153 147.7
[M-H]- 194.15503 148.4
[M+NH4]+ 213.19613 155.9
[M+K]+ 234.12547 149.1
[M+H-H2O]+ 178.15957 132.4
[M+HCOO]- 240.16051 160.0
[M+CH3COO]- 254.17616 189.8
[M+Na-2H]- 216.13698 145.1
[M]+ 195.16176 148.2
[M]- 195.16286 148.2
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.