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]+ 289.191056 167.6
[M+Na]+ 311.172998 173.5
[M-H]- 287.176504 173.7
[M+NH4]+ 306.217603 191.2
[M+K]+ 327.146938 165.5
[M+H-H2O]+ 271.181040 167.1
[M+HCOO]- 333.181981 189.7
[M+CH3COO]- 347.197631 199.7
[M+Na-2H]- 309.158446 172.7
[M]+ 288.18323142 165.7
[M]- 288.18432858 165.7
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.