CID 53944299

2-amino-1-cycloheptylethan-1-onehydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCCC(CC1)C(=O)CN
InChI
InChI=1S/C9H17NO/c10-7-9(11)8-5-3-1-2-4-6-8/h8H,1-7,10H2
InChIKey
LUKPORISHHOWMH-UHFFFAOYSA-N
Compound name
2-amino-1-cycloheptylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 131.0
[M+Na]+ 178.12023 132.6
[M-H]- 154.12373 134.1
[M+NH4]+ 173.16483 149.6
[M+K]+ 194.09417 136.0
[M+H-H2O]+ 138.12827 125.8
[M+HCOO]- 200.12921 150.3
[M+CH3COO]- 214.14486 180.5
[M+Na-2H]- 176.10568 134.1
[M]+ 155.13046 122.1
[M]- 155.13156 122.1
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

No patent data available for this compound.