CID 28182566

(2s,3s)-2-amino-n,3-dimethylpentanamide hydrochloride

Structural Information

Molecular Formula
C7H16N2O
SMILES
CC[C@H](C)[C@@H](C(=O)NC)N
InChI
InChI=1S/C7H16N2O/c1-4-5(2)6(8)7(10)9-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
InChIKey
PCWZFJQSFIEREL-WDSKDSINSA-N
Compound name
(2S,3S)-2-amino-N,3-dimethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

144.12627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 135.7
[M+Na]+ 167.11549 140.4
[M-H]- 143.11899 135.4
[M+NH4]+ 162.16009 156.2
[M+K]+ 183.08943 140.8
[M+H-H2O]+ 127.12353 130.3
[M+HCOO]- 189.12447 158.0
[M+CH3COO]- 203.14012 182.2
[M+Na-2H]- 165.10094 137.6
[M]+ 144.12572 133.3
[M]- 144.12682 133.3
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