CID 57953949

1-(3-aminocyclohexyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(=O)C1CCCC(C1)N
InChI
InChI=1S/C8H15NO/c1-6(10)7-3-2-4-8(9)5-7/h7-8H,2-5,9H2,1H3
InChIKey
QHOGDAIMTBASPN-UHFFFAOYSA-N
Compound name
1-(3-aminocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.4
[M+Na]+ 164.10459 136.3
[M-H]- 140.10809 133.9
[M+NH4]+ 159.14919 152.3
[M+K]+ 180.07853 135.3
[M+H-H2O]+ 124.11263 126.0
[M+HCOO]- 186.11357 151.7
[M+CH3COO]- 200.12922 176.6
[M+Na-2H]- 162.09004 134.4
[M]+ 141.11482 125.3
[M]- 141.11592 125.3
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