CID 89239667

Cyclopropanemethanol, 2-(1,4-dimethyl-3-penten-1-yl)-1-methyl-

Structural Information

Molecular Formula
C12H22O
SMILES
CC(CC=C(C)C)C1CC1(C)CO
InChI
InChI=1S/C12H22O/c1-9(2)5-6-10(3)11-7-12(11,4)8-13/h5,10-11,13H,6-8H2,1-4H3
InChIKey
FZLOGXXTGWFQFP-UHFFFAOYSA-N
Compound name
[1-methyl-2-(5-methylhex-4-en-2-yl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

428
Patents

182.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 142.5
[M+Na]+ 205.15629 150.3
[M-H]- 181.15979 145.8
[M+NH4]+ 200.20089 159.4
[M+K]+ 221.13023 148.1
[M+H-H2O]+ 165.16433 138.3
[M+HCOO]- 227.16527 161.5
[M+CH3COO]- 241.18092 187.0
[M+Na-2H]- 203.14174 145.0
[M]+ 182.16652 145.6
[M]- 182.16762 145.6
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