CID 170907386

7-(3-methyl-3h-diazirin-3-yl)heptanoic acid

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC1(N=N1)CCCCCCC(=O)O
InChI
InChI=1S/C9H16N2O2/c1-9(10-11-9)7-5-3-2-4-6-8(12)13/h2-7H2,1H3,(H,12,13)
InChIKey
YICJASMPIWRPHJ-UHFFFAOYSA-N
Compound name
7-(3-methyldiazirin-3-yl)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 144.1
[M+Na]+ 207.11041 155.6
[M+NH4]+ 202.15501 152.1
[M+K]+ 223.08435 150.3
[M-H]- 183.11391 149.7
[M+Na-2H]- 205.09586 151.8
[M]+ 184.12064 148.4
[M]- 184.12174 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.