CID 11685

2,3-dimethyl-3-pentanol

Structural Information

Molecular Formula
C7H16O
SMILES
CCC(C)(C(C)C)O
InChI
InChI=1S/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3
InChIKey
RFZHJHSNHYIRNE-UHFFFAOYSA-N
Compound name
2,3-dimethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1819
Patents

116.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.12740 126.8
[M+Na]+ 139.10934 133.5
[M-H]- 115.11284 126.0
[M+NH4]+ 134.15394 149.1
[M+K]+ 155.08328 133.5
[M+H-H2O]+ 99.117380 123.4
[M+HCOO]- 161.11832 146.5
[M+CH3COO]- 175.13397 170.7
[M+Na-2H]- 137.09479 132.3
[M]+ 116.11957 126.9
[M]- 116.12067 126.9
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