CID 111664

2,6,6-trimethylcyclohexene-1-methanol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1=C(C(CCC1)(C)C)CO
InChI
InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h11H,4-7H2,1-3H3
InChIKey
QWNGCDQJLXENDZ-UHFFFAOYSA-N
Compound name
(2,6,6-trimethylcyclohexen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

177
Patents

154.13577 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 133.7
[M+Na]+ 177.12499 141.1
[M-H]- 153.12849 136.3
[M+NH4]+ 172.16959 156.8
[M+K]+ 193.09893 139.4
[M+H-H2O]+ 137.13303 129.8
[M+HCOO]- 199.13397 153.9
[M+CH3COO]- 213.14962 176.3
[M+Na-2H]- 175.11044 138.9
[M]+ 154.13522 131.8
[M]- 154.13632 131.8
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