CID 11670

2,3-dimethyl-2-butanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12472
Patents

102.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.11174 122.1
[M+Na]+ 125.09368 129.2
[M-H]- 101.09718 121.4
[M+NH4]+ 120.13828 145.0
[M+K]+ 141.06762 129.4
[M+H-H2O]+ 85.101720 118.9
[M+HCOO]- 147.10266 142.1
[M+CH3COO]- 161.11831 167.6
[M+Na-2H]- 123.07913 128.1
[M]+ 102.10391 121.8
[M]- 102.10501 121.8
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