CID 499317

Nsc669720

Structural Information

Molecular Formula
C9H17NO4
SMILES
C1CC(C2C(C(C(CN2C1)O)O)O)O
InChI
InChI=1S/C9H17NO4/c11-5-2-1-3-10-4-6(12)8(13)9(14)7(5)10/h5-9,11-14H,1-4H2
InChIKey
QTBDZCJQYXPZJL-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 145.1
[M+Na]+ 226.10497 150.6
[M-H]- 202.10847 142.3
[M+NH4]+ 221.14957 161.5
[M+K]+ 242.07891 147.6
[M+H-H2O]+ 186.11301 139.9
[M+HCOO]- 248.11395 155.6
[M+CH3COO]- 262.12960 176.8
[M+Na-2H]- 224.09042 147.0
[M]+ 203.11520 137.3
[M]- 203.11630 137.3
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.