CID 210764

21602-52-8

Structural Information

Molecular Formula
C22H36N
SMILES
CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)[N+]3(CCCCC3)C
InChI
InChI=1S/C22H36N/c1-21(2,3)19-13-15-22(16-14-19,20-11-7-5-8-12-20)23(4)17-9-6-10-18-23/h5,7-8,11-12,19H,6,9-10,13-18H2,1-4H3/q+1
InChIKey
BNMQPVFTCQKMRO-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1-phenylcyclohexyl)-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2848 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.29208 182.3
[M+Na]+ 337.27402 183.7
[M-H]- 313.27752 188.6
[M+NH4]+ 332.31862 198.5
[M+K]+ 353.24796 174.0
[M+H-H2O]+ 297.28206 175.6
[M+HCOO]- 359.28300 193.3
[M+CH3COO]- 373.29865 200.2
[M+Na-2H]- 335.25947 186.4
[M]+ 314.28425 172.1
[M]- 314.28535 172.1
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.