CID 116660

64691-87-8

Structural Information

Molecular Formula
C10H7N5O2
SMILES
CC1=CC(=C(C=C1)NN=C(C#N)C#N)[N+](=O)[O-]
InChI
InChI=1S/C10H7N5O2/c1-7-2-3-9(10(4-7)15(16)17)14-13-8(5-11)6-12/h2-4,14H,1H3
InChIKey
RPVSMPDRWQVGJR-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05997 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.067246 169.0
[M+Na]+ 252.049188 176.6
[M-H]- 228.052694 172.4
[M+NH4]+ 247.093793 179.6
[M+K]+ 268.023128 172.0
[M+H-H2O]+ 212.057230 155.7
[M+HCOO]- 274.058171 183.5
[M+CH3COO]- 288.073821 221.0
[M+Na-2H]- 250.034636 170.6
[M]+ 229.05942142 159.2
[M]- 229.06051858 159.2
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.