CID 57829

100364-60-1

Structural Information

Molecular Formula
C8H14Cl2O
SMILES
CC(C)CCOC1CC1(Cl)Cl
InChI
InChI=1S/C8H14Cl2O/c1-6(2)3-4-11-7-5-8(7,9)10/h6-7H,3-5H2,1-2H3
InChIKey
JKHDKZYWJAARSO-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-(3-methylbutoxy)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04218 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04946 134.8
[M+Na]+ 219.03140 144.9
[M-H]- 195.03490 138.8
[M+NH4]+ 214.07600 152.7
[M+K]+ 235.00534 141.3
[M+H-H2O]+ 179.03944 132.0
[M+HCOO]- 241.04038 148.0
[M+CH3COO]- 255.05603 187.0
[M+Na-2H]- 217.01685 139.8
[M]+ 196.04163 141.7
[M]- 196.04273 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.