CID 25403

2,3-dimethyl-2-pentene

Structural Information

Molecular Formula
C7H14
SMILES
CCC(=C(C)C)C
InChI
InChI=1S/C7H14/c1-5-7(4)6(2)3/h5H2,1-4H3
InChIKey
WFHALSLYRWWUGH-UHFFFAOYSA-N
Compound name
2,3-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

888
Patents

98.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 122.6
[M+Na]+ 121.09877 133.4
[M+NH4]+ 116.14337 131.4
[M+K]+ 137.07271 127.7
[M-H]- 97.102274 122.7
[M+Na-2H]- 119.08422 126.7
[M]+ 98.109001 124.0
[M]- 98.110099 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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