CID 43649281

(2r)-2-amino-n-propylbutanamide hydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCNC(=O)C(CC)N

InChI

InChI=1S/C7H16N2O/c1-3-5-9-7(10)6(8)4-2/h6H,3-5,8H2,1-2H3,(H,9,10)

InChIKey

WKTDYVDQRCXODR-UHFFFAOYSA-N

Compound name

2-amino-N-propylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 144.12627 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.13355	135.1
[M+Na]+	167.11549	140.0
[M-H]-	143.11899	134.7
[M+NH4]+	162.16009	155.7
[M+K]+	183.08943	139.9
[M+H-H2O]+	127.12353	129.6
[M+HCOO]-	189.12447	158.3
[M+CH3COO]-	203.14012	181.3
[M+Na-2H]-	165.10094	138.3
[M]+	144.12572	133.3
[M]-	144.12682	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe