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
2
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]+ 195.174346 144.4
[M+Na]+ 217.156288 153.9
[M-H]- 193.159794 148.8
[M+NH4]+ 212.200893 162.3
[M+K]+ 233.130228 151.0
[M+H-H2O]+ 177.164330 140.2
[M+HCOO]- 239.165271 162.2
[M+CH3COO]- 253.180921 190.4
[M+Na-2H]- 215.141736 148.2
[M]+ 194.16652142 147.4
[M]- 194.16761858 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.