CID 5326158

(e)-4,4-dimethyl-2-pentene

Structural Information

Molecular Formula
C7H14
SMILES
C/C=C/C(C)(C)C
InChI
InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+
InChIKey
BIDIHFPLDRSAMB-AATRIKPKSA-N
Compound name
(E)-4,4-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

771
Patents

98.10955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.1
[M+Na]+ 121.09877 129.0
[M-H]- 97.102274 121.9
[M+NH4]+ 116.14337 145.1
[M+K]+ 137.07271 128.5
[M+H-H2O]+ 81.106810 117.9
[M+HCOO]- 143.10775 143.4
[M+CH3COO]- 157.12340 168.4
[M+Na-2H]- 119.08422 128.6
[M]+ 98.109001 121.6
[M]- 98.110099 121.6
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