CID 302675

2350-99-4

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=CC=C(C=C1)NCC(=O)NN
InChI
InChI=1S/C9H13N3O/c1-7-2-4-8(5-3-7)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
InChIKey
HDEJVCWERFAFIO-UHFFFAOYSA-N
Compound name
2-(4-methylanilino)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

179.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.3
[M+Na]+ 202.09509 144.1
[M-H]- 178.09859 141.6
[M+NH4]+ 197.13969 157.1
[M+K]+ 218.06903 142.1
[M+H-H2O]+ 162.10313 131.5
[M+HCOO]- 224.10407 164.7
[M+CH3COO]- 238.11972 188.1
[M+Na-2H]- 200.08054 144.3
[M]+ 179.10532 135.2
[M]- 179.10642 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

literature stripe

Patent stripe

patents stripe