CID 413888

2-aminocyclohexan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CCC(=O)C(C1)N
InChI
InChI=1S/C6H11NO/c7-5-3-1-2-4-6(5)8/h5H,1-4,7H2
InChIKey
KMLPEYHLAKSCGX-UHFFFAOYSA-N
Compound name
2-aminocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

603
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.8
[M+Na]+ 136.073278 127.7
[M-H]- 112.076784 124.6
[M+NH4]+ 131.117883 143.9
[M+K]+ 152.047218 126.8
[M+H-H2O]+ 96.081320 116.7
[M+HCOO]- 158.082261 143.8
[M+CH3COO]- 172.097911 169.6
[M+Na-2H]- 134.058726 127.2
[M]+ 113.08351142 115.6
[M]- 113.08460858 115.6
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