CID 3085990

Cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-

Structural Information

Molecular Formula
C12H22
SMILES
CC(=C)C[C@@]1(CCC(C1)(C)C)C
InChI
InChI=1S/C12H22/c1-10(2)8-12(5)7-6-11(3,4)9-12/h1,6-9H2,2-5H3/t12-/m0/s1
InChIKey
DXIUTXDTDSKHFH-LBPRGKRZSA-N
Compound name
(3S)-1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

166.17215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.179426 138.6
[M+Na]+ 189.161368 145.5
[M-H]- 165.164874 142.1
[M+NH4]+ 184.205973 165.2
[M+K]+ 205.135308 143.7
[M+H-H2O]+ 149.169410 135.4
[M+HCOO]- 211.170351 159.2
[M+CH3COO]- 225.186001 181.8
[M+Na-2H]- 187.146816 141.6
[M]+ 166.17160142 137.0
[M]- 166.17269858 137.0
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

No patent data available for this compound.