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]+ 157.097146 140.2
[M+Na]+ 179.079088 150.3
[M-H]- 155.082594 141.1
[M+NH4]+ 174.123693 155.0
[M+K]+ 195.053028 148.2
[M+H-H2O]+ 139.087130 134.1
[M+HCOO]- 201.088071 160.9
[M+CH3COO]- 215.103721 177.9
[M+Na-2H]- 177.064536 147.0
[M]+ 156.08932142 145.3
[M]- 156.09041858 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.