CID 4962869

3-(cyclohexyloxy)propan-1-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(CC1)OCCCN
InChI
InChI=1S/C9H19NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8,10H2
InChIKey
ZRXXYJYSVHQULF-UHFFFAOYSA-N
Compound name
3-cyclohexyloxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

105
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.0
[M+Na]+ 180.135888 140.3
[M-H]- 156.139394 138.8
[M+NH4]+ 175.180493 157.1
[M+K]+ 196.109828 139.2
[M+H-H2O]+ 140.143930 130.9
[M+HCOO]- 202.144871 157.8
[M+CH3COO]- 216.160521 178.6
[M+Na-2H]- 178.121336 141.4
[M]+ 157.14612142 132.2
[M]- 157.14721858 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe