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 148.4
[M+Na]+ 207.11041 157.7
[M-H]- 183.11391 149.0
[M+NH4]+ 202.15501 162.2
[M+K]+ 223.08435 155.1
[M+H-H2O]+ 167.11845 142.0
[M+HCOO]- 229.11939 168.5
[M+CH3COO]- 243.13504 183.7
[M+Na-2H]- 205.09586 154.3
[M]+ 184.12064 154.3
[M]- 184.12174 154.3
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.