CID 110352

646055-22-3

Structural Information

Molecular Formula
C9H21NO
SMILES
CC(C)CCCOCCCN
InChI
InChI=1S/C9H21NO/c1-9(2)5-3-7-11-8-4-6-10/h9H,3-8,10H2,1-2H3
InChIKey
IWNIYAALLZXYPP-UHFFFAOYSA-N
Compound name
3-(4-methylpentoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

159.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 141.0
[M+Na]+ 182.151528 145.8
[M-H]- 158.155034 140.1
[M+NH4]+ 177.196133 161.5
[M+K]+ 198.125468 145.3
[M+H-H2O]+ 142.159570 135.5
[M+HCOO]- 204.160511 163.4
[M+CH3COO]- 218.176161 183.2
[M+Na-2H]- 180.136976 144.2
[M]+ 159.16176142 142.3
[M]- 159.16285858 142.3
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