CID 74202

1,1-dimethylcyclopropane

Structural Information

Molecular Formula
C5H10
SMILES
CC1(CC1)C
InChI
InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3
InChIKey
PBIJFSCPEFQXBB-UHFFFAOYSA-N
Compound name
1,1-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

9621
Patents

70.07825 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.085526 112.6
[M+Na]+ 93.067468 122.9
[M-H]- 69.070974 118.1
[M+NH4]+ 88.112073 134.3
[M+K]+ 109.04141 123.0
[M+H-H2O]+ 53.075510 108.7
[M+HCOO]- 115.07645 136.8
[M+CH3COO]- 129.09210 166.5
[M+Na-2H]- 91.052916 122.0
[M]+ 70.077701 115.1
[M]- 70.078799 115.1
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