CID 12673114

2,3-dimethylbut-2-en-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CC(=C(C)CO)C
InChI
InChI=1S/C6H12O/c1-5(2)6(3)4-7/h7H,4H2,1-3H3
InChIKey
CKWZHPCVVYXYEZ-UHFFFAOYSA-N
Compound name
2,3-dimethylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

557
Patents

100.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 121.7
[M+Na]+ 123.078028 128.5
[M-H]- 99.081534 120.9
[M+NH4]+ 118.122633 144.5
[M+K]+ 139.051968 128.2
[M+H-H2O]+ 83.086070 117.9
[M+HCOO]- 145.087011 142.5
[M+CH3COO]- 159.102661 166.6
[M+Na-2H]- 121.063476 125.8
[M]+ 100.08826142 120.4
[M]- 100.08935858 120.4
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