CID 12579103

2-methylpenta-3,4-dien-1-ol

Structural Information

Molecular Formula
C6H10O
SMILES
CC(CO)C=C=C
InChI
InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4,6-7H,1,5H2,2H3
InChIKey
DMGVRWZGBNIGJR-UHFFFAOYSA-N
Compound name
2-methylpenta-3,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

98.073166 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 119.9
[M+Na]+ 121.06238 127.2
[M-H]- 97.065890 119.0
[M+NH4]+ 116.10699 142.7
[M+K]+ 137.03632 125.9
[M+H-H2O]+ 81.070426 116.2
[M+HCOO]- 143.07137 141.9
[M+CH3COO]- 157.08702 164.7
[M+Na-2H]- 119.04783 125.4
[M]+ 98.072617 118.6
[M]- 98.073715 118.6
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