CID 61714652

3-(methylamino)-n-[(methylcarbamoyl)methyl]propanamide dihydrochloride

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CNCCC(=O)NCC(=O)NC
InChI
InChI=1S/C7H15N3O2/c1-8-4-3-6(11)10-5-7(12)9-2/h8H,3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKey
IDDYCTWWKHJJEF-UHFFFAOYSA-N
Compound name
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.11642 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 139.6
[M+Na]+ 196.10564 143.9
[M-H]- 172.10914 139.7
[M+NH4]+ 191.15024 158.8
[M+K]+ 212.07958 144.1
[M+H-H2O]+ 156.11368 133.3
[M+HCOO]- 218.11462 164.9
[M+CH3COO]- 232.13027 187.6
[M+Na-2H]- 194.09109 144.1
[M]+ 173.11587 138.7
[M]- 173.11697 138.7
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