CID 5383434

Quinuclidin-3-one oxime hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CN2CCC1/C(=N\O)/C2
InChI
InChI=1S/C7H12N2O/c10-8-7-5-9-3-1-6(7)2-4-9/h6,10H,1-5H2/b8-7-
InChIKey
QSXHBTDHLNHMLV-FPLPWBNLSA-N
Compound name
(NE)-N-(1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

140.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 125.2
[M+Na]+ 163.08418 129.8
[M-H]- 139.08768 120.8
[M+NH4]+ 158.12878 149.7
[M+K]+ 179.05812 128.5
[M+H-H2O]+ 123.09222 120.4
[M+HCOO]- 185.09316 138.4
[M+CH3COO]- 199.10881 136.5
[M+Na-2H]- 161.06963 138.4
[M]+ 140.09441 124.4
[M]- 140.09551 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe