CID 13234737

En300-9425165

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1C2CC3CC(C2)(CC1C34N=N4)C(=O)O
InChI
InChI=1S/C11H14N2O2/c14-9(15)10-3-6-1-7(4-10)11(12-13-11)8(2-6)5-10/h6-8H,1-5H2,(H,14,15)
InChIKey
SHRQQOPJMXHZDW-UHFFFAOYSA-N
Compound name
spiro[adamantane-4,3'-diazirine]-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 155.3
[M+Na]+ 229.09475 162.0
[M-H]- 205.09825 151.0
[M+NH4]+ 224.13935 174.4
[M+K]+ 245.06869 158.2
[M+H-H2O]+ 189.10279 147.1
[M+HCOO]- 251.10373 159.2
[M+CH3COO]- 265.11938 163.4
[M+Na-2H]- 227.08020 166.5
[M]+ 206.10498 158.7
[M]- 206.10608 158.7
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.