CID 18356486

1-amino-3-ethylpentan-2-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CCC(CC)C(CN)O
InChI
InChI=1S/C7H17NO/c1-3-6(4-2)7(9)5-8/h6-7,9H,3-5,8H2,1-2H3
InChIKey
NGNXQZFLANJCHW-UHFFFAOYSA-N
Compound name
1-amino-3-ethylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

131.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 130.8
[M+Na]+ 154.12023 138.9
[M+NH4]+ 149.16483 138.2
[M+K]+ 170.09417 134.8
[M-H]- 130.12373 130.0
[M+Na-2H]- 152.10568 133.1
[M]+ 131.13046 131.4
[M]- 131.13156 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe