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

558
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 129.9
[M+Na]+ 152.10459 136.0
[M-H]- 128.10809 130.1
[M+NH4]+ 147.14919 151.9
[M+K]+ 168.07853 135.8
[M+H-H2O]+ 112.11263 125.0
[M+HCOO]- 174.11357 153.9
[M+CH3COO]- 188.12922 176.2
[M+Na-2H]- 150.09004 135.4
[M]+ 129.11482 130.8
[M]- 129.11592 130.8
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