CID 409130

Nsc18615

Structural Information

Molecular Formula
C15H32N2
SMILES
CC[N+](C)(CC)CCC[N+]12CCC(CC1)CC2
InChI
InChI=1S/C15H32N2/c1-4-16(3,5-2)10-6-11-17-12-7-15(8-13-17)9-14-17/h15H,4-14H2,1-3H3/q+2
InChIKey
ZCNUVTDIWFQWAQ-UHFFFAOYSA-N
Compound name
3-(1-azoniabicyclo[2.2.2]octan-1-yl)propyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.25655 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.26383 157.5
[M+Na]+ 263.24577 158.6
[M-H]- 239.24927 153.5
[M+NH4]+ 258.29037 179.9
[M+K]+ 279.21971 146.0
[M+H-H2O]+ 223.25381 156.7
[M+HCOO]- 285.25475 166.3
[M+CH3COO]- 299.27040 192.5
[M+Na-2H]- 261.23122 172.8
[M]+ 240.25600 156.4
[M]- 240.25710 156.4
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.