CID 94740

2,4,4-trimethyl-2-pentanol

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

7
References

16319
Patents

130.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.14305 130.8
[M+Na]+ 153.12499 137.8
[M-H]- 129.12849 130.1
[M+NH4]+ 148.16959 152.8
[M+K]+ 169.09893 137.5
[M+H-H2O]+ 113.13303 127.8
[M+HCOO]- 175.13397 149.6
[M+CH3COO]- 189.14962 172.7
[M+Na-2H]- 151.11044 137.8
[M]+ 130.13522 131.4
[M]- 130.13632 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