CID 7058341

(1s)-1-(adamantan-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H20O
SMILES
C[C@@H](C12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C12H20O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13H,2-7H2,1H3/t8-,9?,10?,11?,12?/m0/s1
InChIKey
YALBLVPSPRKDJI-JKJWBTBISA-N
Compound name
(1S)-1-(1-adamantyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 145.3
[M+Na]+ 203.14063 147.0
[M-H]- 179.14413 139.4
[M+NH4]+ 198.18523 171.4
[M+K]+ 219.11457 143.9
[M+H-H2O]+ 163.14867 139.9
[M+HCOO]- 225.14961 150.3
[M+CH3COO]- 239.16526 153.8
[M+Na-2H]- 201.12608 154.8
[M]+ 180.15086 143.6
[M]- 180.15196 143.6
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