CID 20719176

Refchem:591003

Structural Information

Molecular Formula
C8H18N2O
SMILES
CCCCCC(C(=O)NC)N
InChI
InChI=1S/C8H18N2O/c1-3-4-5-6-7(9)8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKey
YLBHPLDJISPYOJ-UHFFFAOYSA-N
Compound name
2-amino-N-methylheptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

158.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 139.7
[M+Na]+ 181.131118 144.2
[M-H]- 157.134624 139.1
[M+NH4]+ 176.175723 159.7
[M+K]+ 197.105058 143.8
[M+H-H2O]+ 141.139160 134.0
[M+HCOO]- 203.140101 162.6
[M+CH3COO]- 217.155751 184.4
[M+Na-2H]- 179.116566 142.3
[M]+ 158.14135142 138.3
[M]- 158.14244858 138.3
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

No patent data available for this compound.