CID 6383759

Pyruvonitrile, o-benzyloxime

Structural Information

Molecular Formula
C10H10N2O
SMILES
C/C(=N/OCC1=CC=CC=C1)/C#N
InChI
InChI=1S/C10H10N2O/c1-9(7-11)12-13-8-10-5-3-2-4-6-10/h2-6H,8H2,1H3/b12-9-
InChIKey
XCAOHAULIHZYCV-XFXZXTDPSA-N
Compound name
(1Z)-N-phenylmethoxyethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 139.1
[M+Na]+ 197.068538 147.8
[M-H]- 173.072044 143.2
[M+NH4]+ 192.113143 157.4
[M+K]+ 213.042478 145.6
[M+H-H2O]+ 157.076580 126.0
[M+HCOO]- 219.077521 161.3
[M+CH3COO]- 233.093171 196.3
[M+Na-2H]- 195.053986 145.5
[M]+ 174.07877142 135.2
[M]- 174.07986858 135.2
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

No patent data available for this compound.