CID 46173391

Structural Information

Molecular Formula
C6H14NO2Se
SMILES
C[Se](C)CCC(C(=O)O)N
InChI
InChI=1S/C6H14NO2Se/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKey
WHJRAUIUPCDSHZ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

212.01898 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02626 147.2
[M+Na]+ 235.00820 151.8
[M-H]- 211.01170 145.0
[M+NH4]+ 230.05280 166.6
[M+K]+ 250.98214 151.4
[M+H-H2O]+ 195.01624 141.7
[M+HCOO]- 257.01718 166.5
[M+CH3COO]- 271.03283 179.7
[M+Na-2H]- 232.99365 147.1
[M]+ 212.01843 145.3
[M]- 212.01953 145.3
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

patents stripe