CID 5354128

2-heptanone oxime

Structural Information

Molecular Formula
C7H15NO
SMILES
CCCCC/C(=N/O)/C
InChI
InChI=1S/C7H15NO/c1-3-4-5-6-7(2)8-9/h9H,3-6H2,1-2H3/b8-7+
InChIKey
NGTGENGUUCHSLQ-BQYQJAHWSA-N
Compound name
(NE)-N-heptan-2-ylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

784
Patents

129.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.4
[M+Na]+ 152.10459 138.7
[M+NH4]+ 147.14919 137.2
[M+K]+ 168.07853 133.1
[M-H]- 128.10809 129.3
[M+Na-2H]- 150.09004 133.0
[M]+ 129.11482 130.4
[M]- 129.11592 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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