CID 199849

5105-63-5

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]+ 184.144436 147.7
[M+Na]+ 206.126378 153.1
[M-H]- 182.129884 147.5
[M+NH4]+ 201.170983 164.5
[M+K]+ 222.100318 153.6
[M+H-H2O]+ 166.134420 135.3
[M+HCOO]- 228.135361 164.9
[M+CH3COO]- 242.151011 201.9
[M+Na-2H]- 204.111826 147.3
[M]+ 183.13661142 140.5
[M]- 183.13770858 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.