CID 199849

Leucinamide, n-(1-cyanoethyl)-, (-)-

Structural Information

Molecular Formula
C9H17N3O
SMILES
CC(C)CC(C(=O)NC(C)C#N)N
InChI
InChI=1S/C9H17N3O/c1-6(2)4-8(11)9(13)12-7(3)5-10/h6-8H,4,11H2,1-3H3,(H,12,13)
InChIKey
FWBRQCXGZQIHOY-UHFFFAOYSA-N
Compound name
2-amino-N-(1-cyanoethyl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 147.7
[M+Na]+ 206.12638 153.1
[M-H]- 182.12988 147.5
[M+NH4]+ 201.17098 164.5
[M+K]+ 222.10032 153.6
[M+H-H2O]+ 166.13442 135.3
[M+HCOO]- 228.13536 164.9
[M+CH3COO]- 242.15101 201.9
[M+Na-2H]- 204.11183 147.3
[M]+ 183.13661 140.5
[M]- 183.13771 140.5
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.