CID 487248

6-(2-isopropylidenehydrazino)-6-oxo-hexanoic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(=NNC(=O)CCCCC(=O)O)C
InChI
InChI=1S/C9H16N2O3/c1-7(2)10-11-8(12)5-3-4-6-9(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
QVGHDZHTOJSWEN-UHFFFAOYSA-N
Compound name
6-oxo-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 146.9
[M+Na]+ 223.10531 151.3
[M-H]- 199.10881 146.8
[M+NH4]+ 218.14991 165.2
[M+K]+ 239.07925 151.3
[M+H-H2O]+ 183.11335 140.8
[M+HCOO]- 245.11429 170.1
[M+CH3COO]- 259.12994 190.6
[M+Na-2H]- 221.09076 149.0
[M]+ 200.11554 147.7
[M]- 200.11664 147.7
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.