CID 18852

3,3-dimethyl-1-pentene

Structural Information

Molecular Formula
C7H14
SMILES
CCC(C)(C)C=C
InChI
InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3
InChIKey
TXBZITDWMURSEF-UHFFFAOYSA-N
Compound name
3,3-dimethylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2814
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 120.8
[M+Na]+ 121.09877 128.4
[M-H]- 97.102274 121.4
[M+NH4]+ 116.14337 144.6
[M+K]+ 137.07271 128.0
[M+H-H2O]+ 81.106810 117.4
[M+HCOO]- 143.10775 143.0
[M+CH3COO]- 157.12340 169.8
[M+Na-2H]- 119.08422 128.2
[M]+ 98.109001 121.4
[M]- 98.110099 121.4
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