CID 170456338

3-amino-6-[1-(methylamino)ethyl]oxan-2-one

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C1CCC(C(=O)O1)N)NC
InChI
InChI=1S/C8H16N2O2/c1-5(10-2)7-4-3-6(9)8(11)12-7/h5-7,10H,3-4,9H2,1-2H3
InChIKey
ZNTJPTNBZHLKTI-UHFFFAOYSA-N
Compound name
3-amino-6-[1-(methylamino)ethyl]oxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 139.4
[M+Na]+ 195.110408 144.3
[M-H]- 171.113914 142.8
[M+NH4]+ 190.155013 157.6
[M+K]+ 211.084348 144.6
[M+H-H2O]+ 155.118450 133.3
[M+HCOO]- 217.119391 160.0
[M+CH3COO]- 231.135041 185.0
[M+Na-2H]- 193.095856 142.8
[M]+ 172.12064142 135.0
[M]- 172.12173858 135.0
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.