CID 13037020

(1,2,3,4-tetrahydronaphthalen-1-yl)urea

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CC(C2=CC=CC=C2C1)NC(=O)N
InChI
InChI=1S/C11H14N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H3,12,13,14)
InChIKey
PLSFSIDDNZKALV-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

190.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 139.6
[M+Na]+ 213.099828 144.8
[M-H]- 189.103334 143.1
[M+NH4]+ 208.144433 159.2
[M+K]+ 229.073768 142.0
[M+H-H2O]+ 173.107870 133.2
[M+HCOO]- 235.108811 161.4
[M+CH3COO]- 249.124461 187.2
[M+Na-2H]- 211.085276 145.9
[M]+ 190.11006142 134.1
[M]- 190.11115858 134.1
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

patents stripe