CID 418379

Nsc100218

Structural Information

Molecular Formula
C14H20NO
SMILES
C1CC2(CCC[N+]2(C1)CC3=CC=CC=C3)O
InChI
InChI=1S/C14H20NO/c16-14-8-4-10-15(14,11-5-9-14)12-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12H2/q+1
InChIKey
IJITUHQNLCPQIP-UHFFFAOYSA-N
Compound name
4-benzyl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1545 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16178 152.6
[M+Na]+ 241.14372 158.8
[M-H]- 217.14722 157.4
[M+NH4]+ 236.18832 176.8
[M+K]+ 257.11766 149.2
[M+H-H2O]+ 201.15176 148.7
[M+HCOO]- 263.15270 171.1
[M+CH3COO]- 277.16835 175.8
[M+Na-2H]- 239.12917 158.9
[M]+ 218.15395 146.8
[M]- 218.15505 146.8
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.