CID 9912306

4-aminocyclohexanone

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC(=O)CCC1N
InChI
InChI=1S/C6H11NO/c7-5-1-3-6(8)4-2-5/h5H,1-4,7H2
InChIKey
OTCYOBLTAQTFPW-UHFFFAOYSA-N
Compound name
4-aminocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

755
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.2
[M+Na]+ 136.07328 132.4
[M+NH4]+ 131.11788 131.2
[M+K]+ 152.04722 126.8
[M-H]- 112.07678 124.5
[M+Na-2H]- 134.05873 127.4
[M]+ 113.08351 124.0
[M]- 113.08461 124.0
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