CID 122485

Cis-4-(isopropyl)-1-methylcyclohex-2-en-1-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)[C@H]1CC[C@@](C=C1)(C)O
InChI
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m1/s1
InChIKey
IZXYHAXVIZHGJV-ZJUUUORDSA-N
Compound name
(1R,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

243
Patents

154.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.1
[M+Na]+ 177.12499 141.2
[M-H]- 153.12849 137.2
[M+NH4]+ 172.16959 157.7
[M+K]+ 193.09893 139.9
[M+H-H2O]+ 137.13303 130.9
[M+HCOO]- 199.13397 154.2
[M+CH3COO]- 213.14962 176.0
[M+Na-2H]- 175.11044 139.5
[M]+ 154.13522 132.1
[M]- 154.13632 132.1
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