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]+ 142.122646 131.4
[M+Na]+ 164.104588 136.3
[M-H]- 140.108094 133.9
[M+NH4]+ 159.149193 152.3
[M+K]+ 180.078528 135.3
[M+H-H2O]+ 124.112630 126.0
[M+HCOO]- 186.113571 151.7
[M+CH3COO]- 200.129221 176.6
[M+Na-2H]- 162.090036 134.4
[M]+ 141.11482142 125.3
[M]- 141.11591858 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