CID 44919

1-(1-aminopentyl)adamantane hydrochloride

Structural Information

Molecular Formula
C15H27N
SMILES
CCCCC(C12CC3CC(C1)CC(C3)C2)N
InChI
InChI=1S/C15H27N/c1-2-3-4-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,2-10,16H2,1H3
InChIKey
DLVUMYKCECWKKS-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

221.21436 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.22164 158.6
[M+Na]+ 244.20358 158.7
[M-H]- 220.20708 152.7
[M+NH4]+ 239.24818 183.2
[M+K]+ 260.17752 155.0
[M+H-H2O]+ 204.21162 152.3
[M+HCOO]- 266.21256 164.2
[M+CH3COO]- 280.22821 165.8
[M+Na-2H]- 242.18903 166.3
[M]+ 221.21381 156.5
[M]- 221.21491 156.5
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