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 167.5
[M+Na]+ 300.16824 169.7
[M-H]- 276.17174 169.8
[M+NH4]+ 295.21284 182.1
[M+K]+ 316.14218 167.2
[M+H-H2O]+ 260.17628 159.1
[M+HCOO]- 322.17722 191.9
[M+CH3COO]- 336.19287 207.2
[M+Na-2H]- 298.15369 170.9
[M]+ 277.17847 167.2
[M]- 277.17957 167.2
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.