CID 66086

1,1-diethylcyclopropane

Structural Information

Molecular Formula
C7H14
SMILES
CCC1(CC1)CC
InChI
InChI=1S/C7H14/c1-3-7(4-2)5-6-7/h3-6H2,1-2H3
InChIKey
VUROAZUCSQPSOK-UHFFFAOYSA-N
Compound name
1,1-diethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

552
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 121.2
[M+Na]+ 121.09877 130.6
[M-H]- 97.102274 126.3
[M+NH4]+ 116.14337 141.8
[M+K]+ 137.07271 130.3
[M+H-H2O]+ 81.106810 116.8
[M+HCOO]- 143.10775 144.7
[M+CH3COO]- 157.12340 172.3
[M+Na-2H]- 119.08422 129.5
[M]+ 98.109001 124.3
[M]- 98.110099 124.3
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