CID 85580

3-(hexyloxy)propylamine

Structural Information

Molecular Formula
C9H21NO
SMILES
CCCCCCOCCCN
InChI
InChI=1S/C9H21NO/c1-2-3-4-5-8-11-9-6-7-10/h2-10H2,1H3
InChIKey
NWGJTXNNXLHFSE-UHFFFAOYSA-N
Compound name
3-hexoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

487
Patents

159.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 140.0
[M+Na]+ 182.151528 145.0
[M-H]- 158.155034 139.1
[M+NH4]+ 177.196133 160.5
[M+K]+ 198.125468 144.1
[M+H-H2O]+ 142.159570 134.5
[M+HCOO]- 204.160511 163.4
[M+CH3COO]- 218.176161 182.4
[M+Na-2H]- 180.136976 144.6
[M]+ 159.16176142 142.0
[M]- 159.16285858 142.0
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