CID 371829

Nsc646345

Structural Information

Molecular Formula
C11H17FN2O
SMILES
C1C2CC3(CC1CC(C2)(C3)F)NC(=O)N
InChI
InChI=1S/C11H17FN2O/c12-10-2-7-1-8(3-10)5-11(4-7,6-10)14-9(13)15/h7-8H,1-6H2,(H3,13,14,15)
InChIKey
SBUGVGNGQYOBAX-UHFFFAOYSA-N
Compound name
(3-fluoro-1-adamantyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13249 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13977 147.4
[M+Na]+ 235.12171 150.3
[M-H]- 211.12521 141.1
[M+NH4]+ 230.16631 174.0
[M+K]+ 251.09565 147.1
[M+H-H2O]+ 195.12975 140.8
[M+HCOO]- 257.13069 154.7
[M+CH3COO]- 271.14634 155.8
[M+Na-2H]- 233.10716 158.6
[M]+ 212.13194 143.8
[M]- 212.13304 143.8
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.