CID 11855604

2-amino-3-(3-methyl-3h-diazirin-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CC1(N=N1)CC(C(=O)O)N
InChI
InChI=1S/C5H9N3O2/c1-5(7-8-5)2-3(6)4(9)10/h3H,2,6H2,1H3,(H,9,10)
InChIKey
MJRDGTVDJKACQZ-UHFFFAOYSA-N
Compound name
2-amino-3-(3-methyldiazirin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

143.06947 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 134.0
[M+Na]+ 166.058688 143.9
[M-H]- 142.062194 134.9
[M+NH4]+ 161.103293 148.7
[M+K]+ 182.032628 142.0
[M+H-H2O]+ 126.066730 128.3
[M+HCOO]- 188.067671 154.9
[M+CH3COO]- 202.083321 177.1
[M+Na-2H]- 164.044136 140.1
[M]+ 143.06892142 136.2
[M]- 143.07001858 136.2
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