CID 40582

2-adamantanamine, n-benzyl-, hydrochloride

Structural Information

Molecular Formula
C17H23N
SMILES
C1C2CC3CC1CC(C2)C3NCC4=CC=CC=C4
InChI
InChI=1S/C17H23N/c1-2-4-12(5-3-1)11-18-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-18H,6-11H2
InChIKey
ZCXANRFELYORDX-UHFFFAOYSA-N
Compound name
N-benzyladamantan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

241.18304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 151.7
[M+Na]+ 264.17226 152.1
[M-H]- 240.17576 149.7
[M+NH4]+ 259.21686 173.6
[M+K]+ 280.14620 147.5
[M+H-H2O]+ 224.18030 144.0
[M+HCOO]- 286.18124 160.1
[M+CH3COO]- 300.19689 159.7
[M+Na-2H]- 262.15771 162.0
[M]+ 241.18249 149.5
[M]- 241.18359 149.5
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