CID 145705847

5-(3-methyl-3h-diazirin-3-yl)pentanoic acid

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC1(N=N1)CCCCC(=O)O
InChI
InChI=1S/C7H12N2O2/c1-7(8-9-7)5-3-2-4-6(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
KYSOOSILWHMRGI-UHFFFAOYSA-N
Compound name
5-(3-methyldiazirin-3-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 136.6
[M+Na]+ 179.07909 148.5
[M+NH4]+ 174.12369 144.9
[M+K]+ 195.05303 143.6
[M-H]- 155.08259 142.2
[M+Na-2H]- 177.06454 144.7
[M]+ 156.08932 140.9
[M]- 156.09042 140.9
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.