CID 522696

1-phenyladamantane

Structural Information

Molecular Formula
C16H20
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC=CC=C4
InChI
InChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
InChIKey
XACJBFHSZJWBBP-UHFFFAOYSA-N
Compound name
1-phenyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1292
Patents

212.1565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.16378 147.7
[M+Na]+ 235.14572 149.8
[M-H]- 211.14922 146.3
[M+NH4]+ 230.19032 172.8
[M+K]+ 251.11966 144.9
[M+H-H2O]+ 195.15376 139.3
[M+HCOO]- 257.15470 155.5
[M+CH3COO]- 271.17035 156.6
[M+Na-2H]- 233.13117 158.8
[M]+ 212.15595 145.6
[M]- 212.15705 145.6
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