CID 23718

2,2,3-trimethylpentan-3-ol

Structural Information

Molecular Formula
C8H18O
SMILES
CCC(C)(C(C)(C)C)O
InChI
InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3
InChIKey
KLIHWYNSISMOMR-UHFFFAOYSA-N
Compound name
2,2,3-trimethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

130.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.143046 130.8
[M+Na]+ 153.124988 137.8
[M-H]- 129.128494 130.1
[M+NH4]+ 148.169593 152.8
[M+K]+ 169.098928 137.5
[M+H-H2O]+ 113.133030 127.8
[M+HCOO]- 175.133971 149.6
[M+CH3COO]- 189.149621 172.7
[M+Na-2H]- 151.110436 137.8
[M]+ 130.13522142 131.4
[M]- 130.13631858 131.4
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