CID 5357349

3-methylbutyraldehyde oxime

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)C/C=N/O
InChI
InChI=1S/C5H11NO/c1-5(2)3-4-6-7/h4-5,7H,3H2,1-2H3/b6-4+
InChIKey
JAUPRNSQRRCCRR-GQCTYLIASA-N
Compound name
(NE)-N-(3-methylbutylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

24
Patents

101.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.6
[M+Na]+ 124.07328 127.5
[M-H]- 100.07678 121.2
[M+NH4]+ 119.11788 143.7
[M+K]+ 140.04722 127.9
[M+H-H2O]+ 84.081320 116.1
[M+HCOO]- 146.08226 145.2
[M+CH3COO]- 160.09791 170.1
[M+Na-2H]- 122.05873 127.2
[M]+ 101.08351 120.7
[M]- 101.08461 120.7
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