CID 147480

(2s)-2-amino-4-azidobutanoic acid;hydrochloride

Structural Information

Molecular Formula
C4H8N4O2
SMILES
C(CN=[N+]=[N-])[C@@H](C(=O)O)N
InChI
InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3H,1-2,5H2,(H,9,10)/t3-/m0/s1
InChIKey
NNWQLZWAZSJGLY-VKHMYHEASA-N
Compound name
(2S)-2-amino-4-azidobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

90
References

1938
Patents

144.06473 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.072006 125.3
[M+Na]+ 167.053948 130.7
[M-H]- 143.057454 126.6
[M+NH4]+ 162.098553 145.2
[M+K]+ 183.027888 126.7
[M+H-H2O]+ 127.061990 124.0
[M+HCOO]- 189.062931 154.2
[M+CH3COO]- 203.078581 176.6
[M+Na-2H]- 165.039396 133.1
[M]+ 144.06418142 120.8
[M]- 144.06527858 120.8
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