CID 9561079

Pinacolone oxime

Structural Information

Molecular Formula
C6H13NO
SMILES
C/C(=N\O)/C(C)(C)C
InChI
InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3/b7-5+
InChIKey
UNSDDJQNHCSVSW-FNORWQNLSA-N
Compound name
(NE)-N-(3,3-dimethylbutan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

115.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.8
[M+Na]+ 138.08894 131.9
[M-H]- 114.09244 125.6
[M+NH4]+ 133.13354 147.6
[M+K]+ 154.06288 132.4
[M+H-H2O]+ 98.096980 120.9
[M+HCOO]- 160.09792 147.6
[M+CH3COO]- 174.11357 172.7
[M+Na-2H]- 136.07439 131.5
[M]+ 115.09917 124.7
[M]- 115.10027 124.7
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