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]+ 185.128466 148.4
[M+Na]+ 207.110408 157.7
[M-H]- 183.113914 149.0
[M+NH4]+ 202.155013 162.2
[M+K]+ 223.084348 155.1
[M+H-H2O]+ 167.118450 142.0
[M+HCOO]- 229.119391 168.5
[M+CH3COO]- 243.135041 183.7
[M+Na-2H]- 205.095856 154.3
[M]+ 184.12064142 154.3
[M]- 184.12173858 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.