CID 5354166

Heptanal oxime

Structural Information

Molecular Formula
C7H15NO
SMILES
CCCCCC/C=N/O
InChI
InChI=1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h7,9H,2-6H2,1H3/b8-7+
InChIKey
BNYNJIKGRPHFAM-BQYQJAHWSA-N
Compound name
(NE)-N-heptylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

218
Patents

129.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.1
[M+Na]+ 152.104588 135.4
[M-H]- 128.108094 129.2
[M+NH4]+ 147.149193 151.2
[M+K]+ 168.078528 134.8
[M+H-H2O]+ 112.112630 124.2
[M+HCOO]- 174.113571 154.1
[M+CH3COO]- 188.129221 175.4
[M+Na-2H]- 150.090036 136.0
[M]+ 129.11482142 130.7
[M]- 129.11591858 130.7
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

patents stripe