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]+ 164.09442 132.2
[M+Na]+ 186.07636 139.1
[M-H]- 162.07986 134.4
[M+NH4]+ 181.12096 151.0
[M+K]+ 202.05030 137.6
[M+H-H2O]+ 146.08440 126.6
[M+HCOO]- 208.08534 153.2
[M+CH3COO]- 222.10099 173.1
[M+Na-2H]- 184.06181 136.9
[M]+ 163.08659 127.8
[M]- 163.08769 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.