CID 164663

Supinidine

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C[C@H]2C(=CCN2C1)CO
InChI
InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,8,10H,1-2,4-6H2/t8-/m0/s1
InChIKey
XMJAZPFSQQKHEG-QMMMGPOBSA-N
Compound name
[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

139.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.4
[M+Na]+ 162.08894 137.8
[M-H]- 138.09244 132.0
[M+NH4]+ 157.13354 154.6
[M+K]+ 178.06288 136.0
[M+H-H2O]+ 122.09698 125.1
[M+HCOO]- 184.09792 151.1
[M+CH3COO]- 198.11357 170.1
[M+Na-2H]- 160.07439 133.9
[M]+ 139.09917 127.8
[M]- 139.10027 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

literature stripe

Patent stripe

patents stripe