CID 132353912

2138087-47-3

Structural Information

Molecular Formula
C11H19N3O4
SMILES
CC(C)(C)OC(=O)NCCC1(N=N1)CCC(=O)O
InChI
InChI=1S/C11H19N3O4/c1-10(2,3)18-9(17)12-7-6-11(13-14-11)5-4-8(15)16/h4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKey
RNLSZNAODQDGQC-UHFFFAOYSA-N
Compound name
3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]diazirin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13754 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14482 165.1
[M+Na]+ 280.12676 173.1
[M-H]- 256.13026 165.8
[M+NH4]+ 275.17136 175.8
[M+K]+ 296.10070 170.9
[M+H-H2O]+ 240.13480 159.2
[M+HCOO]- 302.13574 183.7
[M+CH3COO]- 316.15139 196.5
[M+Na-2H]- 278.11221 170.3
[M]+ 257.13699 171.9
[M]- 257.13809 171.9
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

No patent data available for this compound.