CID 101481

1h-indole-3-carboxaldehyde oxime

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NO
InChI
InChI=1S/C9H8N2O/c12-11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10,12H
InChIKey
BWEFEUTYNRSOKX-UHFFFAOYSA-N
Compound name
N-(1H-indol-3-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

160.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 129.1
[M+Na]+ 183.052878 139.0
[M-H]- 159.056384 131.8
[M+NH4]+ 178.097483 150.8
[M+K]+ 199.026818 135.1
[M+H-H2O]+ 143.060920 123.1
[M+HCOO]- 205.061861 154.6
[M+CH3COO]- 219.077511 143.4
[M+Na-2H]- 181.038326 138.4
[M]+ 160.06311142 129.1
[M]- 160.06420858 129.1
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