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

55
Patents

144.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 134.0
[M+Na]+ 167.115488 139.6
[M-H]- 143.118994 133.9
[M+NH4]+ 162.160093 154.8
[M+K]+ 183.089428 139.4
[M+H-H2O]+ 127.123530 129.2
[M+HCOO]- 189.124471 156.7
[M+CH3COO]- 203.140121 180.7
[M+Na-2H]- 165.100936 139.2
[M]+ 144.12572142 132.4
[M]- 144.12681858 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