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

294
Patents

143.06947 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.07675 134.0
[M+Na]+ 166.05869 143.9
[M-H]- 142.06219 134.9
[M+NH4]+ 161.10329 148.7
[M+K]+ 182.03263 142.0
[M+H-H2O]+ 126.06673 128.3
[M+HCOO]- 188.06767 154.9
[M+CH3COO]- 202.08332 177.1
[M+Na-2H]- 164.04414 140.1
[M]+ 143.06892 136.2
[M]- 143.07002 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