CID 170910573

2-(prop-2-yn-1-yl)adamantane

Structural Information

Molecular Formula
C13H18
SMILES
C#CCC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C13H18/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h1,9-13H,3-8H2
InChIKey
SKQTYTSJMPVUNU-UHFFFAOYSA-N
Compound name
2-prop-2-ynyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.14085 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 143.2
[M+Na]+ 197.130068 150.4
[M-H]- 173.133574 139.5
[M+NH4]+ 192.174673 166.5
[M+K]+ 213.104008 139.7
[M+H-H2O]+ 157.138110 133.7
[M+HCOO]- 219.139051 147.3
[M+CH3COO]- 233.154701 151.8
[M+Na-2H]- 195.115516 151.6
[M]+ 174.14030142 137.8
[M]- 174.14139858 137.8
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

No patent data available for this compound.