CID 5276213

3-(3,5-dimethyl-1-adamantyl)propan-1-amine

Structural Information

Molecular Formula
C15H27N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CCCN)C
InChI
InChI=1S/C15H27N/c1-13-6-12-7-14(2,9-13)11-15(8-12,10-13)4-3-5-16/h12H,3-11,16H2,1-2H3
InChIKey
YNTPYEHKAVNJJC-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1-adamantyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

221.21436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.221636 159.7
[M+Na]+ 244.203578 162.7
[M-H]- 220.207084 154.6
[M+NH4]+ 239.248183 188.2
[M+K]+ 260.177518 158.0
[M+H-H2O]+ 204.211620 152.5
[M+HCOO]- 266.212561 166.1
[M+CH3COO]- 280.228211 167.8
[M+Na-2H]- 242.189026 169.9
[M]+ 221.21381142 159.0
[M]- 221.21490858 159.0
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

patents stripe