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]+ 167.17943 138.6
[M+Na]+ 189.16137 145.5
[M-H]- 165.16487 142.1
[M+NH4]+ 184.20597 165.2
[M+K]+ 205.13531 143.7
[M+H-H2O]+ 149.16941 135.4
[M+HCOO]- 211.17035 159.2
[M+CH3COO]- 225.18600 181.8
[M+Na-2H]- 187.14682 141.6
[M]+ 166.17160 137.0
[M]- 166.17270 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.