CID 46416

3-(n-methylisopropylamino)-3-methyl-2-butanol hydrochloride

Structural Information

Molecular Formula
C9H21NO
SMILES
CC(C)N(C)C(C)(C)C(C)O
InChI
InChI=1S/C9H21NO/c1-7(2)10(6)9(4,5)8(3)11/h7-8,11H,1-6H3
InChIKey
NREUFTGBOHYBGA-UHFFFAOYSA-N
Compound name
3-methyl-3-[methyl(propan-2-yl)amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.16231 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 139.5
[M+Na]+ 182.15153 144.5
[M-H]- 158.15503 139.8
[M+NH4]+ 177.19613 160.4
[M+K]+ 198.12547 145.7
[M+H-H2O]+ 142.15957 135.1
[M+HCOO]- 204.16051 159.1
[M+CH3COO]- 218.17616 186.0
[M+Na-2H]- 180.13698 142.2
[M]+ 159.16176 140.1
[M]- 159.16286 140.1
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

No patent data available for this compound.