CID 22273067

1-amino-3-ethylpentan-3-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CCC(CC)(CCN)O
InChI
InChI=1S/C7H17NO/c1-3-7(9,4-2)5-6-8/h9H,3-6,8H2,1-2H3
InChIKey
PKKWLMYBLBBXLB-UHFFFAOYSA-N
Compound name
1-amino-3-ethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

131.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 130.0
[M+Na]+ 154.12023 138.4
[M+NH4]+ 149.16483 137.4
[M+K]+ 170.09417 134.0
[M-H]- 130.12373 129.0
[M+Na-2H]- 152.10568 132.9
[M]+ 131.13046 130.6
[M]- 131.13156 130.6
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