CID 511813

2-(1-adamantyl)-1-methyl-azepane

Structural Information

Molecular Formula
C17H29N
SMILES
CN1CCCCCC1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H29N/c1-18-6-4-2-3-5-16(18)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-16H,2-12H2,1H3
InChIKey
JGTWRQXPKMAXQE-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-methylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.23 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 162.2
[M+Na]+ 270.21922 163.0
[M-H]- 246.22272 160.6
[M+NH4]+ 265.26382 184.0
[M+K]+ 286.19316 158.4
[M+H-H2O]+ 230.22726 155.7
[M+HCOO]- 292.22820 165.0
[M+CH3COO]- 306.24385 168.9
[M+Na-2H]- 268.20467 168.7
[M]+ 247.22945 154.9
[M]- 247.23055 154.9
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

No patent data available for this compound.