CID 85800

2-carene-4-methanol

Structural Information

Molecular Formula
C11H18O
SMILES
CC1=CC2C(C2(C)C)CC1CO
InChI
InChI=1S/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h4,8-10,12H,5-6H2,1-3H3
InChIKey
LUYUYAZOPRAIRX-UHFFFAOYSA-N
Compound name
(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

166.13577 Da
Monoisotopic Mass

1.8
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

patents stripe