CID 445856

L-tert-leucine methylamide

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CC(C)(C)[C@@H](C(=O)NC)N

InChI

InChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)/t5-/m1/s1

InChIKey

BPKJNEIOHOEWLO-RXMQYKEDSA-N

Compound name

(2S)-2-amino-N,3,3-trimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 483
Patents: 144.12627 Da
Monoisotopic Mass: 0.4
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	134.4
[M+Na]+	167.11549	139.9
[M-H]-	143.11899	134.4
[M+NH4]+	162.16009	155.3
[M+K]+	183.08943	140.2
[M+H-H2O]+	127.12353	129.7
[M+HCOO]-	189.12447	156.2
[M+CH3COO]-	203.14012	180.9
[M+Na-2H]-	165.10094	138.3
[M]+	144.12572	132.1
[M]-	144.12682	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe