CID 79128023

1-amino-3-ethyl-2,2-dimethylpentan-3-ol hydrochloride

Structural Information

Molecular Formula
C9H21NO
SMILES
CCC(CC)(C(C)(C)CN)O
InChI
InChI=1S/C9H21NO/c1-5-9(11,6-2)8(3,4)7-10/h11H,5-7,10H2,1-4H3
InChIKey
PDRDIEBAXUQFAY-UHFFFAOYSA-N
Compound name
1-amino-3-ethyl-2,2-dimethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.3
[M+Na]+ 182.151528 145.9
[M-H]- 158.155034 138.7
[M+NH4]+ 177.196133 160.4
[M+K]+ 198.125468 144.8
[M+H-H2O]+ 142.159570 136.5
[M+HCOO]- 204.160511 159.1
[M+CH3COO]- 218.176161 180.5
[M+Na-2H]- 180.136976 145.8
[M]+ 159.16176142 139.4
[M]- 159.16285858 139.4
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