CID 135408678

Heptoxime

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CC/C(=N/O)/C(=N\O)/CC1
InChI
InChI=1S/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2/b8-6-,9-7-
InChIKey
LJIRXNPXTVQOEU-VRHVFUOLSA-N
Compound name
(NZ)-N-[(2Z)-2-hydroxyiminocycloheptylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

323
Patents

156.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 131.2
[M+Na]+ 179.07909 137.9
[M+NH4]+ 174.12369 137.9
[M+K]+ 195.05303 134.7
[M-H]- 155.08259 132.6
[M+Na-2H]- 177.06454 135.6
[M]+ 156.08932 132.1
[M]- 156.09042 132.1
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