CID 36004

31898-02-9

Structural Information

Molecular Formula
C14H25N
SMILES
CNCCCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H25N/c1-15-4-2-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3
InChIKey
MVULMKAOOUHSOU-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.1987 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 151.2
[M+Na]+ 230.18792 152.0
[M-H]- 206.19142 146.1
[M+NH4]+ 225.23252 176.7
[M+K]+ 246.16186 148.4
[M+H-H2O]+ 190.19596 144.7
[M+HCOO]- 252.19690 158.9
[M+CH3COO]- 266.21255 159.3
[M+Na-2H]- 228.17337 161.7
[M]+ 207.19815 150.4
[M]- 207.19925 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.