CID 520484

2,3,4-trimethyl-3-pentanol

Structural Information

Molecular Formula
C8H18O
SMILES
CC(C)C(C)(C(C)C)O
InChI
InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3
InChIKey
PLSMHHUFDLYURK-UHFFFAOYSA-N
Compound name
2,3,4-trimethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

1558
Patents

130.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.14305 131.0
[M+Na]+ 153.12499 137.1
[M-H]- 129.12849 130.2
[M+NH4]+ 148.16959 152.8
[M+K]+ 169.09893 137.3
[M+H-H2O]+ 113.13303 127.5
[M+HCOO]- 175.13397 149.5
[M+CH3COO]- 189.14962 174.6
[M+Na-2H]- 151.11044 134.8
[M]+ 130.13522 130.9
[M]- 130.13632 130.9
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