CID 64166

N-tricyclo(3.3.1.1'3,7)dec-1-ylurea

Structural Information

Molecular Formula
C11H18N2O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)N
InChI
InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChIKey
QYYHPAUOLCHORH-UHFFFAOYSA-N
Compound name
1-adamantylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

229
Patents

194.1419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 142.4
[M+Na]+ 217.131118 143.8
[M-H]- 193.134624 137.1
[M+NH4]+ 212.175723 167.7
[M+K]+ 233.105058 141.3
[M+H-H2O]+ 177.139160 136.9
[M+HCOO]- 239.140101 150.8
[M+CH3COO]- 253.155751 151.0
[M+Na-2H]- 215.116566 153.5
[M]+ 194.14135142 139.5
[M]- 194.14244858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe