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

46
Patents

142.07423 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 131.4
[M+Na]+ 165.06345 138.8
[M-H]- 141.06695 130.5
[M+NH4]+ 160.10805 149.5
[M+K]+ 181.03739 138.6
[M+H-H2O]+ 125.07149 120.0
[M+HCOO]- 187.07243 149.5
[M+CH3COO]- 201.08808 187.7
[M+Na-2H]- 163.04890 134.4
[M]+ 142.07368 124.9
[M]- 142.07478 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