CID 3010115

N-benzyladamantan-1-amine

Structural Information

Molecular Formula
C17H23N
SMILES
C1C2CC3CC1CC(C2)(C3)NCC4=CC=CC=C4
InChI
InChI=1S/C17H23N/c1-2-4-13(5-3-1)12-18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2
InChIKey
OFNIFAABSYOPSM-UHFFFAOYSA-N
Compound name
N-benzyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

52
Patents

241.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 153.2
[M+Na]+ 264.17226 154.0
[M-H]- 240.17576 151.2
[M+NH4]+ 259.21686 176.8
[M+K]+ 280.14620 149.1
[M+H-H2O]+ 224.18030 144.6
[M+HCOO]- 286.18124 161.6
[M+CH3COO]- 300.19689 161.2
[M+Na-2H]- 262.15771 164.6
[M]+ 241.18249 150.9
[M]- 241.18359 150.9
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