CID 393118

Nsc694518

Structural Information

Molecular Formula
C9H18N2O3
SMILES
C(CCCC(=O)NN)CCCC(=O)O
InChI
InChI=1S/C9H18N2O3/c10-11-8(12)6-4-2-1-3-5-7-9(13)14/h1-7,10H2,(H,11,12)(H,13,14)
InChIKey
JJBTZOWLFBHYGR-UHFFFAOYSA-N
Compound name
9-hydrazinyl-9-oxononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

202.13174 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 148.1
[M+Na]+ 225.12096 151.9
[M-H]- 201.12446 145.9
[M+NH4]+ 220.16556 165.4
[M+K]+ 241.09490 150.8
[M+H-H2O]+ 185.12900 142.0
[M+HCOO]- 247.12994 169.9
[M+CH3COO]- 261.14559 188.2
[M+Na-2H]- 223.10641 149.8
[M]+ 202.13119 147.4
[M]- 202.13229 147.4
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

patents stripe