CID 681371

64691-89-0

Structural Information

Molecular Formula
C10H7N5O3
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C(C#N)C#N
InChI
InChI=1S/C10H7N5O3/c1-18-10-3-2-8(15(16)17)4-9(10)14-13-7(5-11)6-12/h2-4,14H,1H3
InChIKey
MQXCHFGIODALHC-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-5-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05489 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06217 169.7
[M+Na]+ 268.04411 177.2
[M-H]- 244.04761 173.1
[M+NH4]+ 263.08871 179.8
[M+K]+ 284.01805 173.1
[M+H-H2O]+ 228.05215 156.3
[M+HCOO]- 290.05309 184.4
[M+CH3COO]- 304.06874 222.4
[M+Na-2H]- 266.02956 171.6
[M]+ 245.05434 160.8
[M]- 245.05544 160.8
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.