CID 14335169

70424-76-9

Structural Information

Molecular Formula
C11H18O
SMILES
CC1=CCC2C(C1CO)C2(C)C
InChI
InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,8-10,12H,5-6H2,1-3H3
InChIKey
QNQLBLWLFHHSMS-UHFFFAOYSA-N
Compound name
(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 136.7
[M+Na]+ 189.12499 147.3
[M-H]- 165.12849 141.4
[M+NH4]+ 184.16959 155.7
[M+K]+ 205.09893 144.4
[M+H-H2O]+ 149.13303 132.6
[M+HCOO]- 211.13397 156.0
[M+CH3COO]- 225.14962 183.8
[M+Na-2H]- 187.11044 142.6
[M]+ 166.13522 139.5
[M]- 166.13632 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.