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

1
Patents

159.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 140.3
[M+Na]+ 182.15153 145.9
[M-H]- 158.15503 138.7
[M+NH4]+ 177.19613 160.4
[M+K]+ 198.12547 144.8
[M+H-H2O]+ 142.15957 136.5
[M+HCOO]- 204.16051 159.1
[M+CH3COO]- 218.17616 180.5
[M+Na-2H]- 180.13698 145.8
[M]+ 159.16176 139.4
[M]- 159.16286 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