CID 11261

3-methyl-2-pentanol

Structural Information

Molecular Formula
C6H14O
SMILES
CCC(C)C(C)O
InChI
InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
InChIKey
ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
Compound name
3-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

15820
Patents

102.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.11174 122.2
[M+Na]+ 125.09368 132.1
[M+NH4]+ 120.13828 130.5
[M+K]+ 141.06762 127.6
[M-H]- 101.09718 121.5
[M+Na-2H]- 123.07913 125.6
[M]+ 102.10391 123.2
[M]- 102.10501 123.2
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