CID 32568

(+-)-endo-n-benzyl-2-bornanamine hydrochloride

Structural Information

Molecular Formula
C17H25N
SMILES
CC1(C2CCC1(C(C2)NCC3=CC=CC=C3)C)C
InChI
InChI=1S/C17H25N/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3
InChIKey
RDMPEKVKUMKCOW-UHFFFAOYSA-N
Compound name
N-benzyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

243.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.205976 159.3
[M+Na]+ 266.187918 166.4
[M-H]- 242.191424 165.4
[M+NH4]+ 261.232523 185.8
[M+K]+ 282.161858 161.6
[M+H-H2O]+ 226.195960 153.9
[M+HCOO]- 288.196901 180.6
[M+CH3COO]- 302.212551 171.7
[M+Na-2H]- 264.173366 162.7
[M]+ 243.19815142 158.1
[M]- 243.19924858 158.1
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