CID 22690629

1423040-92-9

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)[C@@H](C(=O)NCC1=CC=CO1)N
InChI
InChI=1S/C10H16N2O2/c1-7(2)9(11)10(13)12-6-8-4-3-5-14-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKey
HFPQKDXEWFLZOA-VIFPVBQESA-N
Compound name
(2S)-2-amino-N-(furan-2-ylmethyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 148.0
[M+Na]+ 219.11041 152.5
[M-H]- 195.11391 151.4
[M+NH4]+ 214.15501 166.5
[M+K]+ 235.08435 152.8
[M+H-H2O]+ 179.11845 141.3
[M+HCOO]- 241.11939 170.9
[M+CH3COO]- 255.13504 188.7
[M+Na-2H]- 217.09586 149.9
[M]+ 196.12064 147.0
[M]- 196.12174 147.0
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.