CID 16220553

1141464-90-5

Structural Information

Molecular Formula
C23H36N
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2=CC3(CCCCC3)CC2(C)C
InChI
InChI=1S/C23H36N/c1-17(2)19-11-10-12-20(18(3)4)21(19)24-16-23(15-22(24,5)6)13-8-7-9-14-23/h10-12,16-18H,7-9,13-15H2,1-6H3/q+1
InChIKey
SZNXMVVSQRGTMT-UHFFFAOYSA-N
Compound name
2-[2,6-di(propan-2-yl)phenyl]-3,3-dimethyl-2-azoniaspiro[4.5]dec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.2848 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.29208 185.7
[M+Na]+ 349.27402 190.3
[M-H]- 325.27752 192.6
[M+NH4]+ 344.31862 204.3
[M+K]+ 365.24796 180.4
[M+H-H2O]+ 309.28206 180.4
[M+HCOO]- 371.28300 199.9
[M+CH3COO]- 385.29865 206.5
[M+Na-2H]- 347.25947 185.1
[M]+ 326.28425 180.9
[M]- 326.28535 180.9
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

patents stripe