CID 5467610

Nsc656288

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1CC2=CC=CC=C2/C(=N\NC(=O)N)/C1
InChI
InChI=1S/C11H13N3O/c12-11(15)14-13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2,(H3,12,14,15)/b13-10-
InChIKey
XUKCXUHWMJPPSM-RAXLEYEMSA-N
Compound name
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 141.2
[M+Na]+ 226.09509 146.3
[M-H]- 202.09859 146.0
[M+NH4]+ 221.13969 160.6
[M+K]+ 242.06903 143.9
[M+H-H2O]+ 186.10313 134.2
[M+HCOO]- 248.10407 165.7
[M+CH3COO]- 262.11972 193.3
[M+Na-2H]- 224.08054 148.4
[M]+ 203.10532 136.1
[M]- 203.10642 136.1
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.