CID 295965

3-(diethylamino)-2,2-dimethylpropan-1-ol

Structural Information

Molecular Formula
C9H21NO
SMILES
CCN(CC)CC(C)(C)CO
InChI
InChI=1S/C9H21NO/c1-5-10(6-2)7-9(3,4)8-11/h11H,5-8H2,1-4H3
InChIKey
YOWSYKCRNIREGL-UHFFFAOYSA-N
Compound name
3-(diethylamino)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 140.0
[M+Na]+ 182.15153 145.4
[M-H]- 158.15503 140.2
[M+NH4]+ 177.19613 161.0
[M+K]+ 198.12547 145.7
[M+H-H2O]+ 142.15957 135.4
[M+HCOO]- 204.16051 161.6
[M+CH3COO]- 218.17616 184.2
[M+Na-2H]- 180.13698 145.1
[M]+ 159.16176 142.0
[M]- 159.16286 142.0
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