CID 21386953

3-methyl-2-(propan-2-yl)butan-1-ol

Structural Information

Molecular Formula
C8H18O
SMILES
CC(C)C(CO)C(C)C
InChI
InChI=1S/C8H18O/c1-6(2)8(5-9)7(3)4/h6-9H,5H2,1-4H3
InChIKey
IDGDEUZERZKYHG-UHFFFAOYSA-N
Compound name
3-methyl-2-propan-2-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

130.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.143046 132.6
[M+Na]+ 153.124988 137.9
[M-H]- 129.128494 131.4
[M+NH4]+ 148.169593 154.1
[M+K]+ 169.098928 138.2
[M+H-H2O]+ 113.133030 128.4
[M+HCOO]- 175.133971 151.5
[M+CH3COO]- 189.149621 175.2
[M+Na-2H]- 151.110436 134.3
[M]+ 130.13522142 132.2
[M]- 130.13631858 132.2
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