CID 53633163

(2s)-2-amino-5-cyanopentanoic acid hydrochloride

Structural Information

Molecular Formula
C6H10N2O2
SMILES
C(CC#N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H10N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-3,8H2,(H,9,10)/t5-/m0/s1
InChIKey
AAWKBLYYEHJYCW-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-cyanopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

142.07423 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.081506 131.4
[M+Na]+ 165.063448 138.8
[M-H]- 141.066954 130.5
[M+NH4]+ 160.108053 149.5
[M+K]+ 181.037388 138.6
[M+H-H2O]+ 125.071490 120.0
[M+HCOO]- 187.072431 149.5
[M+CH3COO]- 201.088081 187.7
[M+Na-2H]- 163.048896 134.4
[M]+ 142.07368142 124.9
[M]- 142.07477858 124.9
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

patents stripe