CID 137457

Cycloheptanone oxime

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CCCC(=NO)CC1
InChI
InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H2
InChIKey
OENGSNXUALAIFP-UHFFFAOYSA-N
Compound name
N-cycloheptylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

370
Patents

127.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 122.4
[M+Na]+ 150.088938 125.0
[M-H]- 126.092444 126.3
[M+NH4]+ 145.133543 142.4
[M+K]+ 166.062878 128.7
[M+H-H2O]+ 110.096980 117.5
[M+HCOO]- 172.097921 143.8
[M+CH3COO]- 186.113571 174.0
[M+Na-2H]- 148.074386 128.7
[M]+ 127.09917142 114.3
[M]- 127.10026858 114.3
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