CID 57294680

4-ethylheptan-1-amine

Structural Information

Molecular Formula
C9H21N
SMILES
CCCC(CC)CCCN
InChI
InChI=1S/C9H21N/c1-3-6-9(4-2)7-5-8-10/h9H,3-8,10H2,1-2H3
InChIKey
VSTXCOMAIYVUIK-UHFFFAOYSA-N
Compound name
4-ethylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

143.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.174676 137.9
[M+Na]+ 166.156618 142.8
[M-H]- 142.160124 137.2
[M+NH4]+ 161.201223 159.1
[M+K]+ 182.130558 141.9
[M+H-H2O]+ 126.164660 132.7
[M+HCOO]- 188.165601 160.1
[M+CH3COO]- 202.181251 181.3
[M+Na-2H]- 164.142066 141.2
[M]+ 143.16685142 137.8
[M]- 143.16794858 137.8
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