CID 11182706

2-cyclohexylbut-3-yn-2-ol

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C#C)(C1CCCCC1)O
InChI
InChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9,11H,4-8H2,2H3
InChIKey
QHMLEMNWJBMRRE-UHFFFAOYSA-N
Compound name
2-cyclohexylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

152.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 137.3
[M+Na]+ 175.109338 144.5
[M-H]- 151.112844 137.8
[M+NH4]+ 170.153943 155.5
[M+K]+ 191.083278 140.8
[M+H-H2O]+ 135.117380 126.9
[M+HCOO]- 197.118321 149.5
[M+CH3COO]- 211.133971 182.5
[M+Na-2H]- 173.094786 141.4
[M]+ 152.11957142 127.1
[M]- 152.12066858 127.1
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