CID 129809488

2-(2,2,3,3-tetramethylcyclopropyl)ethan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1(C(C1(C)C)CCO)C
InChI
InChI=1S/C9H18O/c1-8(2)7(5-6-10)9(8,3)4/h7,10H,5-6H2,1-4H3
InChIKey
SXQCOTFADCHNPI-UHFFFAOYSA-N
Compound name
2-(2,2,3,3-tetramethylcyclopropyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

142.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 129.8
[M+Na]+ 165.12499 140.5
[M-H]- 141.12849 134.2
[M+NH4]+ 160.16959 150.5
[M+K]+ 181.09893 139.6
[M+H-H2O]+ 125.13303 127.4
[M+HCOO]- 187.13397 151.0
[M+CH3COO]- 201.14962 179.2
[M+Na-2H]- 163.11044 136.7
[M]+ 142.13522 134.7
[M]- 142.13632 134.7
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