CID 11239

3-methyl-1-butene

Structural Information

Molecular Formula
C5H10
SMILES
CC(C)C=C
InChI
InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
InChIKey
YHQXBTXEYZIYOV-UHFFFAOYSA-N
Compound name
3-methylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

714
References

106642
Patents

70.07825 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.085526 113.1
[M+Na]+ 93.067468 124.6
[M+NH4]+ 88.112073 122.4
[M+K]+ 109.04141 118.7
[M-H]- 69.070974 113.5
[M+Na-2H]- 91.052916 118.2
[M]+ 70.077701 114.8
[M]- 70.078799 114.8
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