CID 16684057

Aluminum, dihydro(2-methyl-1,3-butadienyl)-

Structural Information

Molecular Formula
C5H7Al
SMILES
CC(=C[Al])C=C
InChI
InChI=1S/C5H7.Al/c1-4-5(2)3;/h2,4H,1H2,3H3;
InChIKey
KAQCRZGWMBEAEJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

94.036316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.043592 116.5
[M+Na]+ 117.02553 124.2
[M-H]- 93.029040 117.0
[M+NH4]+ 112.07014 140.7
[M+K]+ 132.99947 123.4
[M+H-H2O]+ 77.033576 112.7
[M+HCOO]- 139.03452 139.7
[M+CH3COO]- 153.05017 165.6
[M+Na-2H]- 115.01098 122.6
[M]+ 94.035767 115.7
[M]- 94.036865 115.7
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