CID 13234737

Spiro[adamantane-2,2'-diazirine]-7-carboxylic acid

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]+ 207.112806 155.3
[M+Na]+ 229.094748 162.0
[M-H]- 205.098254 151.0
[M+NH4]+ 224.139353 174.4
[M+K]+ 245.068688 158.2
[M+H-H2O]+ 189.102790 147.1
[M+HCOO]- 251.103731 159.2
[M+CH3COO]- 265.119381 163.4
[M+Na-2H]- 227.080196 166.5
[M]+ 206.10498142 158.7
[M]- 206.10607858 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.