CID 53944299

2839158-10-8

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

4
Patents

155.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 131.0
[M+Na]+ 178.120228 132.6
[M-H]- 154.123734 134.1
[M+NH4]+ 173.164833 149.6
[M+K]+ 194.094168 136.0
[M+H-H2O]+ 138.128270 125.8
[M+HCOO]- 200.129211 150.3
[M+CH3COO]- 214.144861 180.5
[M+Na-2H]- 176.105676 134.1
[M]+ 155.13046142 122.1
[M]- 155.13155858 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

patents stripe