CID 85838

15409-60-6

Structural Information

Molecular Formula
C9H17NO
SMILES
CN(C)CC1CCCCC1=O
InChI
InChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3
InChIKey
QDHLEFBSGUGHCL-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

276
Patents

155.13101 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe