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

448
Patents

100.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 121.5
[M+Na]+ 123.07803 128.2
[M-H]- 99.081534 120.6
[M+NH4]+ 118.12263 144.2
[M+K]+ 139.05197 127.9
[M+H-H2O]+ 83.086070 117.7
[M+HCOO]- 145.08701 142.3
[M+CH3COO]- 159.10266 167.3
[M+Na-2H]- 121.06348 125.7
[M]+ 100.08826 120.3
[M]- 100.08936 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