CID 28307015

3-(tert-butylamino)propanamide

Structural Information

Molecular Formula
C7H16N2O
SMILES
CC(C)(C)NCCC(=O)N
InChI
InChI=1S/C7H16N2O/c1-7(2,3)9-5-4-6(8)10/h9H,4-5H2,1-3H3,(H2,8,10)
InChIKey
GCKGKTYJDWPLCG-UHFFFAOYSA-N
Compound name
3-(tert-butylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

144.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 134.0
[M+Na]+ 167.11549 139.6
[M-H]- 143.11899 133.9
[M+NH4]+ 162.16009 154.8
[M+K]+ 183.08943 139.4
[M+H-H2O]+ 127.12353 129.2
[M+HCOO]- 189.12447 156.7
[M+CH3COO]- 203.14012 180.7
[M+Na-2H]- 165.10094 139.2
[M]+ 144.12572 132.4
[M]- 144.12682 132.4
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