CID 44233

Brn 0923377

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CCCN=C(CCCCC(=O)O)NNC1=CC=CC=C1
InChI
InChI=1S/C15H23N3O2/c1-2-12-16-14(10-6-7-11-15(19)20)18-17-13-8-4-3-5-9-13/h3-5,8-9,17H,2,6-7,10-12H2,1H3,(H,16,18)(H,19,20)
InChIKey
PSBRZPWJVJSYMU-UHFFFAOYSA-N
Compound name
6-(2-phenylhydrazinyl)-6-propyliminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 168.8
[M+Na]+ 300.16824 176.0
[M+NH4]+ 295.21284 174.4
[M+K]+ 316.14218 170.2
[M-H]- 276.17174 170.6
[M+Na-2H]- 298.15369 173.0
[M]+ 277.17847 169.8
[M]- 277.17957 169.8
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.