CID 137935305

2248365-84-4

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1[C@@H]2[C@]1(C[C@H]2N=[N+]=[N-])C(=O)O
InChI
InChI=1S/C6H7N3O2/c7-9-8-4-2-6(5(10)11)1-3(4)6/h3-4H,1-2H2,(H,10,11)/t3-,4+,6-/m0/s1
InChIKey
YQOGUZBKESRKQL-RPDRRWSUSA-N
Compound name
(1S,3R,4R)-3-azidobicyclo[2.1.0]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 124.4
[M+Na]+ 176.04305 131.9
[M-H]- 152.04655 131.2
[M+NH4]+ 171.08765 136.6
[M+K]+ 192.01699 129.5
[M+H-H2O]+ 136.05109 118.9
[M+HCOO]- 198.05203 150.2
[M+CH3COO]- 212.06768 183.5
[M+Na-2H]- 174.02850 135.1
[M]+ 153.05328 132.8
[M]- 153.05438 132.8
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.