CID 3040360

2-(2,3-dihydroxy-1-propylamino)quinolizinium bromide

Structural Information

Molecular Formula
C12H15N2O2
SMILES
C1=CC=[N+]2C=CC(=CC2=C1)NCC(CO)O
InChI
InChI=1S/C12H14N2O2/c15-9-12(16)8-13-10-4-6-14-5-2-1-3-11(14)7-10/h1-7,12,15-16H,8-9H2/p+1
InChIKey
ZCXVSXZJBCLVNT-UHFFFAOYSA-O
Compound name
3-(quinolizin-5-ium-2-ylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

219.11336 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12064 147.5
[M+Na]+ 242.10258 153.7
[M-H]- 218.10608 148.2
[M+NH4]+ 237.14718 163.6
[M+K]+ 258.07652 144.4
[M+H-H2O]+ 202.11062 143.3
[M+HCOO]- 264.11156 166.8
[M+CH3COO]- 278.12721 179.4
[M+Na-2H]- 240.08803 157.4
[M]+ 219.11281 144.8
[M]- 219.11391 144.8
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

patents stripe