CID 106801

Einecs 267-106-9

Structural Information

Molecular Formula
C13H22O
SMILES
CCC(C1CC2C(C2(C)C)C=C1C)O
InChI
InChI=1S/C13H22O/c1-5-12(14)9-7-11-10(6-8(9)2)13(11,3)4/h6,9-12,14H,5,7H2,1-4H3
InChIKey
CROUXCFPFDNCIO-UHFFFAOYSA-N
Compound name
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 144.4
[M+Na]+ 217.15629 153.9
[M-H]- 193.15979 148.8
[M+NH4]+ 212.20089 162.3
[M+K]+ 233.13023 151.0
[M+H-H2O]+ 177.16433 140.2
[M+HCOO]- 239.16527 162.2
[M+CH3COO]- 253.18092 190.4
[M+Na-2H]- 215.14174 148.2
[M]+ 194.16652 147.4
[M]- 194.16762 147.4
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.