CID 358900

Caswell no. 094

Structural Information

Molecular Formula
C12H24N2O
SMILES
CN(C)CC1CCCC(C1=O)CN(C)C
InChI
InChI=1S/C12H24N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h10-11H,5-9H2,1-4H3
InChIKey
WFFCWXMFKGCIGF-UHFFFAOYSA-N
Compound name
2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

45
Patents

212.18886 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.19614 151.9
[M+Na]+ 235.17808 155.6
[M-H]- 211.18158 157.3
[M+NH4]+ 230.22268 171.5
[M+K]+ 251.15202 156.3
[M+H-H2O]+ 195.18612 145.0
[M+HCOO]- 257.18706 174.5
[M+CH3COO]- 271.20271 201.8
[M+Na-2H]- 233.16353 153.1
[M]+ 212.18831 151.0
[M]- 212.18941 151.0
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.