CID 56828152

3-ethoxy-4-methylpentan-1-amine

Structural Information

Molecular Formula
C8H19NO
SMILES
CCOC(CCN)C(C)C
InChI
InChI=1S/C8H19NO/c1-4-10-8(5-6-9)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKey
ABGOVGHCPXGROD-UHFFFAOYSA-N
Compound name
3-ethoxy-4-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 137.0
[M+Na]+ 168.13589 142.1
[M-H]- 144.13939 136.5
[M+NH4]+ 163.18049 158.0
[M+K]+ 184.10983 142.3
[M+H-H2O]+ 128.14393 131.8
[M+HCOO]- 190.14487 158.7
[M+CH3COO]- 204.16052 181.0
[M+Na-2H]- 166.12134 139.5
[M]+ 145.14612 137.3
[M]- 145.14722 137.3
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

No patent data available for this compound.