CID 116185730

3-(dimethylamino)-2-methylbutan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(CO)C(C)N(C)C
InChI
InChI=1S/C7H17NO/c1-6(5-9)7(2)8(3)4/h6-7,9H,5H2,1-4H3
InChIKey
GWELZUUMALVQSO-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 132.0
[M+Na]+ 154.12023 137.3
[M-H]- 130.12373 132.4
[M+NH4]+ 149.16483 153.8
[M+K]+ 170.09417 138.7
[M+H-H2O]+ 114.12827 127.2
[M+HCOO]- 176.12921 153.8
[M+CH3COO]- 190.14486 179.6
[M+Na-2H]- 152.10568 134.9
[M]+ 131.13046 132.3
[M]- 131.13156 132.3
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