CID 64685

1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(C2CCC1(C(C2)O)C)C
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey
DTGKSKDOIYIVQL-UHFFFAOYSA-N
Compound name
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

733
References

69675
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.5
[M+Na]+ 177.12499 144.6
[M-H]- 153.12849 137.7
[M+NH4]+ 172.16959 165.6
[M+K]+ 193.09893 141.8
[M+H-H2O]+ 137.13303 133.4
[M+HCOO]- 199.13397 155.2
[M+CH3COO]- 213.14962 175.6
[M+Na-2H]- 175.11044 140.1
[M]+ 154.13522 134.6
[M]- 154.13632 134.6
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.