CID 123154

Diamantane

Structural Information

Molecular Formula
C14H20
SMILES
C1C2CC3C4C1C5CC(C4)CC3C5C2
InChI
InChI=1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2
InChIKey
ZICQBHNGXDOVJF-UHFFFAOYSA-N
Compound name
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3641
References

7897
Patents

188.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 136.0
[M+Na]+ 211.145718 133.8
[M-H]- 187.149224 130.6
[M+NH4]+ 206.190323 161.0
[M+K]+ 227.119658 129.6
[M+H-H2O]+ 171.153760 126.6
[M+HCOO]- 233.154701 135.2
[M+CH3COO]- 247.170351 142.6
[M+Na-2H]- 209.131166 145.5
[M]+ 188.15595142 133.0
[M]- 188.15704858 133.0
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