CID 3800569

(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)urea

Structural Information

Molecular Formula
C10H18N2O
SMILES
CC(C1CC2CCC1C2)NC(=O)N
InChI
InChI=1S/C10H18N2O/c1-6(12-10(11)13)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H3,11,12,13)
InChIKey
KVIBHGFMYDAGJG-UHFFFAOYSA-N
Compound name
1-(2-bicyclo[2.2.1]heptanyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

182.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 144.0
[M+Na]+ 205.13112 148.2
[M-H]- 181.13462 145.9
[M+NH4]+ 200.17572 167.9
[M+K]+ 221.10506 146.8
[M+H-H2O]+ 165.13916 138.9
[M+HCOO]- 227.14010 164.6
[M+CH3COO]- 241.15575 187.0
[M+Na-2H]- 203.11657 144.7
[M]+ 182.14135 139.3
[M]- 182.14245 139.3
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