CID 544064

1,1,2-trimethyl-3-(2-methylpropyl)cyclopropane

Structural Information

Molecular Formula
C10H20
SMILES
CC1C(C1(C)C)CC(C)C
InChI
InChI=1S/C10H20/c1-7(2)6-9-8(3)10(9,4)5/h7-9H,6H2,1-5H3
InChIKey
TUOVYOKHPFZFRR-UHFFFAOYSA-N
Compound name
1,1,2-trimethyl-3-(2-methylpropyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

140.1565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 130.6
[M+Na]+ 163.145718 140.3
[M-H]- 139.149224 136.0
[M+NH4]+ 158.190323 150.2
[M+K]+ 179.119658 139.4
[M+H-H2O]+ 123.153760 126.6
[M+HCOO]- 185.154701 152.2
[M+CH3COO]- 199.170351 183.8
[M+Na-2H]- 161.131166 135.2
[M]+ 140.15595142 135.0
[M]- 140.15704858 135.0
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

patents stripe