CID 9238

Adamantane

Structural Information

Molecular Formula
C10H16
SMILES
C1C2CC3CC1CC(C2)C3
InChI
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
InChIKey
ORILYTVJVMAKLC-UHFFFAOYSA-N
Compound name
adamantane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4211
References

95125
Patents

136.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 128.7
[M+Na]+ 159.114418 130.9
[M-H]- 135.117924 124.6
[M+NH4]+ 154.159023 155.5
[M+K]+ 175.088358 128.4
[M+H-H2O]+ 119.122460 123.6
[M+HCOO]- 181.123401 137.2
[M+CH3COO]- 195.139051 138.9
[M+Na-2H]- 157.099866 140.3
[M]+ 136.12465142 127.1
[M]- 136.12574858 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