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]+ 155.143046 133.7
[M+Na]+ 177.124988 141.1
[M-H]- 153.128494 136.3
[M+NH4]+ 172.169593 156.8
[M+K]+ 193.098928 139.4
[M+H-H2O]+ 137.133030 129.8
[M+HCOO]- 199.133971 153.9
[M+CH3COO]- 213.149621 176.3
[M+Na-2H]- 175.110436 138.9
[M]+ 154.13522142 131.8
[M]- 154.13631858 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