CID 5371769

Indole-3-acetaldoxime

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C/C=N/O
InChI
InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+
InChIKey
ZLIGRGHTISHYNH-WUXMJOGZSA-N
Compound name
(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

325
Patents

174.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 133.8
[M+Na]+ 197.06854 143.2
[M-H]- 173.07204 136.3
[M+NH4]+ 192.11314 154.9
[M+K]+ 213.04248 139.0
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 158.9
[M+CH3COO]- 233.09317 178.0
[M+Na-2H]- 195.05399 142.5
[M]+ 174.07877 134.1
[M]- 174.07987 134.1
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.