CID 31940

N-isobutyladamantan-1-amine

Structural Information

Molecular Formula
C14H25N
SMILES
CC(C)CNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H25N/c1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14/h10-13,15H,3-9H2,1-2H3
InChIKey
XJHYWJPFKACCOU-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

207.1987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 152.7
[M+Na]+ 230.18792 153.2
[M-H]- 206.19142 147.6
[M+NH4]+ 225.23252 178.1
[M+K]+ 246.16186 150.0
[M+H-H2O]+ 190.19596 146.5
[M+HCOO]- 252.19690 159.3
[M+CH3COO]- 266.21255 160.6
[M+Na-2H]- 228.17337 162.0
[M]+ 207.19815 151.2
[M]- 207.19925 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe