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
1
Annotation Hits

0
References

421
Patents

159.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 140.0
[M+Na]+ 182.15153 145.0
[M-H]- 158.15503 139.1
[M+NH4]+ 177.19613 160.5
[M+K]+ 198.12547 144.1
[M+H-H2O]+ 142.15957 134.5
[M+HCOO]- 204.16051 163.4
[M+CH3COO]- 218.17616 182.4
[M+Na-2H]- 180.13698 144.6
[M]+ 159.16176 142.0
[M]- 159.16286 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