CID 854028

(2s,3s)-2-amino-3-methylpentanamide hydrochloride

Structural Information

Molecular Formula
C6H14N2O
SMILES
CC[C@H](C)[C@@H](C(=O)N)N
InChI
InChI=1S/C6H14N2O/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t4-,5-/m0/s1
InChIKey
JDAMFKGXSUOWBV-WHFBIAKZSA-N
Compound name
(2S,3S)-2-amino-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

753
Patents

130.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 131.2
[M+Na]+ 153.09983 136.3
[M-H]- 129.10333 130.6
[M+NH4]+ 148.14443 152.0
[M+K]+ 169.07377 136.6
[M+H-H2O]+ 113.10787 126.0
[M+HCOO]- 175.10881 153.2
[M+CH3COO]- 189.12446 179.3
[M+Na-2H]- 151.08528 132.5
[M]+ 130.11006 127.5
[M]- 130.11116 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe