CID 71751020

Rac-trans-nicotine-1'-oxide-d3

Structural Information

Molecular Formula
C9H11N2O
SMILES
C1C[C@H](N(C1)[O-])C2=CN=CC=C2
InChI
InChI=1S/C9H11N2O/c12-11-6-2-4-9(11)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/q-1/t9-/m0/s1
InChIKey
WRTRFONEURBMPX-VIFPVBQESA-N
Compound name
3-[(2S)-1-oxidopyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.08714 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.094416 132.2
[M+Na]+ 186.076358 139.1
[M-H]- 162.079864 134.4
[M+NH4]+ 181.120963 151.0
[M+K]+ 202.050298 137.6
[M+H-H2O]+ 146.084400 126.6
[M+HCOO]- 208.085341 153.2
[M+CH3COO]- 222.100991 173.1
[M+Na-2H]- 184.061806 136.9
[M]+ 163.08659142 127.8
[M]- 163.08768858 127.8
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.