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

12
Patents

221.21436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.22164 159.7
[M+Na]+ 244.20358 162.7
[M-H]- 220.20708 154.6
[M+NH4]+ 239.24818 188.2
[M+K]+ 260.17752 158.0
[M+H-H2O]+ 204.21162 152.5
[M+HCOO]- 266.21256 166.1
[M+CH3COO]- 280.22821 167.8
[M+Na-2H]- 242.18903 169.9
[M]+ 221.21381 159.0
[M]- 221.21491 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