CID 136607

1-methyladamantane

Structural Information

Molecular Formula
C11H18
SMILES
CC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKey
UZUCFTVAWGRMTQ-UHFFFAOYSA-N
Compound name
1-methyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7808
Patents

150.14085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.14813 135.9
[M+Na]+ 173.13007 138.8
[M-H]- 149.13357 131.8
[M+NH4]+ 168.17467 164.0
[M+K]+ 189.10401 135.7
[M+H-H2O]+ 133.13811 130.1
[M+HCOO]- 195.13905 143.8
[M+CH3COO]- 209.15470 145.9
[M+Na-2H]- 171.11552 147.4
[M]+ 150.14030 134.7
[M]- 150.14140 134.7
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