CID 4519629

116747-82-1

Structural Information

Molecular Formula
C10H18N
SMILES
C1CC23CCC[N+]2(C1)CCC3
InChI
InChI=1S/C10H18N/c1-4-10-5-2-8-11(10,7-1)9-3-6-10/h1-9H2/q+1
InChIKey
HKNFEDWZNQUTOB-UHFFFAOYSA-N
Compound name
1-azoniatricyclo[3.3.3.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

152.14392 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.15120 138.2
[M+Na]+ 175.13314 143.8
[M-H]- 151.13664 143.3
[M+NH4]+ 170.17774 167.0
[M+K]+ 191.10708 136.6
[M+H-H2O]+ 135.14118 134.6
[M+HCOO]- 197.14212 157.7
[M+CH3COO]- 211.15777 167.1
[M+Na-2H]- 173.11859 143.0
[M]+ 152.14337 130.6
[M]- 152.14447 130.6
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