CID 65179628

1-amino-3-cyclohexylpropan-2-one hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCC(CC1)CC(=O)CN
InChI
InChI=1S/C9H17NO/c10-7-9(11)6-8-4-2-1-3-5-8/h8H,1-7,10H2
InChIKey
QTKZRYJMNDILAX-UHFFFAOYSA-N
Compound name
1-amino-3-cyclohexylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 136.5
[M+Na]+ 178.120228 139.9
[M-H]- 154.123734 138.3
[M+NH4]+ 173.164833 156.4
[M+K]+ 194.094168 138.6
[M+H-H2O]+ 138.128270 130.5
[M+HCOO]- 200.129211 156.4
[M+CH3COO]- 214.144861 178.5
[M+Na-2H]- 176.105676 139.6
[M]+ 155.13046142 130.3
[M]- 155.13155858 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