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]+ 197.128466 148.0
[M+Na]+ 219.110408 152.5
[M-H]- 195.113914 151.4
[M+NH4]+ 214.155013 166.5
[M+K]+ 235.084348 152.8
[M+H-H2O]+ 179.118450 141.3
[M+HCOO]- 241.119391 170.9
[M+CH3COO]- 255.135041 188.7
[M+Na-2H]- 217.095856 149.9
[M]+ 196.12064142 147.0
[M]- 196.12173858 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.