CID 54144088

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

Structural Information

Molecular Formula
C9H17NO
SMILES
CN(C)CC1CCCC(=O)C1
InChI
InChI=1S/C9H17NO/c1-10(2)7-8-4-3-5-9(11)6-8/h8H,3-7H2,1-2H3
InChIKey
ODCYUMJMNPYNMG-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 134.7
[M+Na]+ 178.120228 139.4
[M-H]- 154.123734 138.9
[M+NH4]+ 173.164833 156.0
[M+K]+ 194.094168 139.5
[M+H-H2O]+ 138.128270 128.8
[M+HCOO]- 200.129211 156.8
[M+CH3COO]- 214.144861 183.0
[M+Na-2H]- 176.105676 138.7
[M]+ 155.13046142 131.8
[M]- 155.13155858 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