CID 16076626

N-benzyl-n'-[(1s,2s,4r)-norbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C16H24N2
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2NCCNCC3=CC=CC=C3
InChI
InChI=1S/C16H24N2/c1-2-4-13(5-3-1)12-17-8-9-18-16-11-14-6-7-15(16)10-14/h1-5,14-18H,6-12H2/t14-,15+,16+/m1/s1
InChIKey
NSLIHJNAUVDNGK-PMPSAXMXSA-N
Compound name
N-benzyl-N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 156.5
[M+Na]+ 267.18317 159.9
[M-H]- 243.18667 161.6
[M+NH4]+ 262.22777 178.2
[M+K]+ 283.15711 155.7
[M+H-H2O]+ 227.19121 149.7
[M+HCOO]- 289.19215 179.2
[M+CH3COO]- 303.20780 167.7
[M+Na-2H]- 265.16862 159.9
[M]+ 244.19340 153.4
[M]- 244.19450 153.4
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.