CID 32532

(+-)-endo-n-(p-nitrobenzyl)-2-bornanamine hydrochloride

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1(C2CCC1(C(C2)NCC3=CC=C(C=C3)[N+](=O)[O-])C)C
InChI
InChI=1S/C17H24N2O2/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-4-6-14(7-5-12)19(20)21/h4-7,13,15,18H,8-11H2,1-3H3
InChIKey
JDLGYQRXOHBJMS-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-N-[(4-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 167.3
[M+Na]+ 311.17300 176.9
[M+NH4]+ 306.21760 179.0
[M+K]+ 327.14694 172.4
[M-H]- 287.17650 171.7
[M+Na-2H]- 309.15845 173.1
[M]+ 288.18323 170.0
[M]- 288.18433 170.0
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.