CID 211085

(+-)-endo-alpha-(2-bornylamino)-p-tolunitrile hydrobromide

Structural Information

Molecular Formula
C18H24N2
SMILES
CC1(C2CCC1(C(C2)NCC3=CC=C(C=C3)C#N)C)C
InChI
InChI=1S/C18H24N2/c1-17(2)15-8-9-18(17,3)16(10-15)20-12-14-6-4-13(11-19)5-7-14/h4-7,15-16,20H,8-10,12H2,1-3H3
InChIKey
FPOJTCJCFGHAHD-UHFFFAOYSA-N
Compound name
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 168.0
[M+Na]+ 291.18316 179.3
[M-H]- 267.18666 173.5
[M+NH4]+ 286.22776 191.2
[M+K]+ 307.15710 169.3
[M+H-H2O]+ 251.19120 156.3
[M+HCOO]- 313.19214 185.7
[M+CH3COO]- 327.20779 178.9
[M+Na-2H]- 289.16861 170.2
[M]+ 268.19339 162.8
[M]- 268.19449 162.8
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.