CID 11669

2,3,3-trimethyl-1-butene

Structural Information

Molecular Formula
C7H14
SMILES
CC(=C)C(C)(C)C
InChI
InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChIKey
AUYRUAVCWOAHQN-UHFFFAOYSA-N
Compound name
2,3,3-trimethylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1124
Patents

98.10955 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 120.6
[M+Na]+ 121.098768 128.1
[M-H]- 97.102274 121.4
[M+NH4]+ 116.143373 144.5
[M+K]+ 137.072708 128.1
[M+H-H2O]+ 81.106810 117.4
[M+HCOO]- 143.107751 141.8
[M+CH3COO]- 157.123401 169.9
[M+Na-2H]- 119.084216 126.8
[M]+ 98.10900142 120.4
[M]- 98.11009858 120.4
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