CID 23337803

4-[(dimethylamino)methyl]cyclohexan-1-one hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
CN(C)CC1CCC(=O)CC1
InChI
InChI=1S/C9H17NO/c1-10(2)7-8-3-5-9(11)6-4-8/h8H,3-7H2,1-2H3
InChIKey
CXDCQPPTWNFDAP-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.7
[M+Na]+ 178.12023 139.4
[M-H]- 154.12373 138.9
[M+NH4]+ 173.16483 156.0
[M+K]+ 194.09417 139.5
[M+H-H2O]+ 138.12827 128.8
[M+HCOO]- 200.12921 156.8
[M+CH3COO]- 214.14486 183.0
[M+Na-2H]- 176.10568 138.7
[M]+ 155.13046 131.8
[M]- 155.13156 131.8
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

patents stripe