CID 83479804

1-(1-aminocyclohexyl)propan-2-one hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(=O)CC1(CCCCC1)N
InChI
InChI=1S/C9H17NO/c1-8(11)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKey
CDEFQFDWCBRBHZ-UHFFFAOYSA-N
Compound name
1-(1-aminocyclohexyl)propan-2-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]+ 156.138286 136.2
[M+Na]+ 178.120228 140.5
[M-H]- 154.123734 138.5
[M+NH4]+ 173.164833 158.2
[M+K]+ 194.094168 139.5
[M+H-H2O]+ 138.128270 131.2
[M+HCOO]- 200.129211 156.1
[M+CH3COO]- 214.144861 178.1
[M+Na-2H]- 176.105676 140.4
[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