CID 21018812

1-(1-aminocyclohexyl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
CCC(=O)C1(CCCCC1)N
InChI
InChI=1S/C9H17NO/c1-2-8(11)9(10)6-4-3-5-7-9/h2-7,10H2,1H3
InChIKey
IQTKPUGUFXHRDO-UHFFFAOYSA-N
Compound name
1-(1-aminocyclohexyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.2
[M+Na]+ 178.12023 140.5
[M-H]- 154.12373 138.5
[M+NH4]+ 173.16483 158.2
[M+K]+ 194.09417 139.5
[M+H-H2O]+ 138.12827 131.2
[M+HCOO]- 200.12921 156.1
[M+CH3COO]- 214.14486 178.1
[M+Na-2H]- 176.10568 140.4
[M]+ 155.13046 130.3
[M]- 155.13156 130.3
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