CID 3024659

3-(2,2-dimethyl-1-benzoylhydrazino)propionitrile

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN(C)N(CCC#N)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H15N3O/c1-14(2)15(10-6-9-13)12(16)11-7-4-3-5-8-11/h3-5,7-8H,6,10H2,1-2H3
InChIKey
VALBULOWXGVDNX-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N',N'-dimethylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 153.5
[M+Na]+ 240.11072 160.3
[M-H]- 216.11422 158.4
[M+NH4]+ 235.15532 170.2
[M+K]+ 256.08466 159.5
[M+H-H2O]+ 200.11876 139.3
[M+HCOO]- 262.11970 175.3
[M+CH3COO]- 276.13535 210.1
[M+Na-2H]- 238.09617 157.1
[M]+ 217.12095 149.9
[M]- 217.12205 149.9
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

patents stripe