CID 78131

3-methyl-2-methylenebutyraldehyde

Structural Information

Molecular Formula
C6H10O
SMILES
CC(C)C(=C)C=O
InChI
InChI=1S/C6H10O/c1-5(2)6(3)4-7/h4-5H,3H2,1-2H3
InChIKey
QOUVUDUTJPGJNG-UHFFFAOYSA-N
Compound name
3-methyl-2-methylidenebutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

98.073166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.6
[M+Na]+ 121.06238 126.0
[M-H]- 97.065890 119.2
[M+NH4]+ 116.10699 142.0
[M+K]+ 137.03632 126.1
[M+H-H2O]+ 81.070426 114.7
[M+HCOO]- 143.07137 141.1
[M+CH3COO]- 157.08702 169.0
[M+Na-2H]- 119.04783 123.5
[M]+ 98.072617 118.7
[M]- 98.073715 118.7
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