CID 12603472

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

Structural Information

Molecular Formula
C6H12O
SMILES
CC(CO)C(=C)C
InChI
InChI=1S/C6H12O/c1-5(2)6(3)4-7/h6-7H,1,4H2,2-3H3
InChIKey
OSUIFWPTEFZCMB-UHFFFAOYSA-N
Compound name
2,3-dimethylbut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

100.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 121.5
[M+Na]+ 123.078028 128.2
[M-H]- 99.081534 120.6
[M+NH4]+ 118.122633 144.2
[M+K]+ 139.051968 127.9
[M+H-H2O]+ 83.086070 117.7
[M+HCOO]- 145.087011 142.3
[M+CH3COO]- 159.102661 167.3
[M+Na-2H]- 121.063476 125.7
[M]+ 100.08826142 120.3
[M]- 100.08935858 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe