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 140.2
[M+Na]+ 179.07909 150.3
[M-H]- 155.08259 141.1
[M+NH4]+ 174.12369 155.0
[M+K]+ 195.05303 148.2
[M+H-H2O]+ 139.08713 134.1
[M+HCOO]- 201.08807 160.9
[M+CH3COO]- 215.10372 177.9
[M+Na-2H]- 177.06454 147.0
[M]+ 156.08932 145.3
[M]- 156.09042 145.3
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.