CID 21589

5448-47-5

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)NN
InChI
InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)
InChIKey
GYHLCXMCGCVVCG-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

191
Patents

189.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 137.8
[M+Na]+ 212.079428 146.0
[M-H]- 188.082934 139.9
[M+NH4]+ 207.124033 157.6
[M+K]+ 228.053368 142.1
[M+H-H2O]+ 172.087470 131.2
[M+HCOO]- 234.088411 162.3
[M+CH3COO]- 248.104061 183.3
[M+Na-2H]- 210.064876 144.8
[M]+ 189.08966142 135.8
[M]- 189.09075858 135.8
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