CID 16913

2-methylisoborneol

Structural Information

Molecular Formula
C11H20O
SMILES
CC1(C2CCC1(C(C2)(C)O)C)C
InChI
InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
InChIKey
LFYXNXGVLGKVCJ-UHFFFAOYSA-N
Compound name
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

297
References

1717
Patents

168.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 138.0
[M+Na]+ 191.14063 147.7
[M-H]- 167.14413 140.4
[M+NH4]+ 186.18523 169.4
[M+K]+ 207.11457 144.6
[M+H-H2O]+ 151.14867 136.4
[M+HCOO]- 213.14961 157.3
[M+CH3COO]- 227.16526 178.6
[M+Na-2H]- 189.12608 143.4
[M]+ 168.15086 137.9
[M]- 168.15196 137.9
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