CID 40431

Adamantane, 1-(4-methylaminobutyl)-, hydrochloride

Structural Information

Molecular Formula
C15H27N
SMILES
CNCCCCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H27N/c1-16-5-3-2-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16H,2-11H2,1H3
InChIKey
IGTOUESLWBTAQM-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.21436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.221636 155.8
[M+Na]+ 244.203578 156.1
[M-H]- 220.207084 150.4
[M+NH4]+ 239.248183 180.6
[M+K]+ 260.177518 152.2
[M+H-H2O]+ 204.211620 149.1
[M+HCOO]- 266.212561 163.1
[M+CH3COO]- 280.228211 163.4
[M+Na-2H]- 242.189026 165.7
[M]+ 221.21381142 155.2
[M]- 221.21490858 155.2
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.