CID 73556761

3-cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-

Structural Information

Molecular Formula
C10H18O
SMILES
CC1C=C(CCC1(C)CO)C
InChI
InChI=1S/C10H18O/c1-8-4-5-10(3,7-11)9(2)6-8/h6,9,11H,4-5,7H2,1-3H3
InChIKey
OQQITXVHRIGINI-UHFFFAOYSA-N
Compound name
(1,2,4-trimethylcyclohex-3-en-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

patents stripe