CID 712457

1h-indole-7-carbohydrazide

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC2=C(C(=C1)C(=O)NN)NC=C2
InChI
InChI=1S/C9H9N3O/c10-12-9(13)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,10H2,(H,12,13)
InChIKey
NCFMBDUFIJHHAW-UHFFFAOYSA-N
Compound name
1H-indole-7-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

175.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 133.3
[M+Na]+ 198.06377 141.9
[M-H]- 174.06727 135.5
[M+NH4]+ 193.10837 153.6
[M+K]+ 214.03771 138.2
[M+H-H2O]+ 158.07181 126.8
[M+HCOO]- 220.07275 158.1
[M+CH3COO]- 234.08840 180.3
[M+Na-2H]- 196.04922 140.8
[M]+ 175.07400 130.9
[M]- 175.07510 130.9
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