CID 9571438

Nsc661437

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CC/C(=N\NC(=O)N)/C2=CC=CC=C2C1
InChI
InChI=1S/C12H15N3O/c13-12(16)15-14-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2,(H3,13,15,16)/b14-11+
InChIKey
ZGVPGUWXAWGLFP-SDNWHVSQSA-N
Compound name
[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 145.5
[M+Na]+ 240.11072 148.9
[M-H]- 216.11422 151.5
[M+NH4]+ 235.15532 163.2
[M+K]+ 256.08466 151.4
[M+H-H2O]+ 200.11876 139.2
[M+HCOO]- 262.11970 168.8
[M+CH3COO]- 276.13535 197.2
[M+Na-2H]- 238.09617 151.6
[M]+ 217.12095 138.0
[M]- 217.12205 138.0
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.