CID 308344

1-cyclohexyl-3-methylurea

Structural Information

Molecular Formula
C8H16N2O
SMILES
CNC(=O)NC1CCCCC1
InChI
InChI=1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKey
YKLDLMXTBHWMPV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

156.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 135.2
[M+Na]+ 179.115488 138.3
[M-H]- 155.118994 137.8
[M+NH4]+ 174.160093 155.2
[M+K]+ 195.089428 137.7
[M+H-H2O]+ 139.123530 129.0
[M+HCOO]- 201.124471 157.2
[M+CH3COO]- 215.140121 179.8
[M+Na-2H]- 177.100936 140.2
[M]+ 156.12572142 128.8
[M]- 156.12681858 128.8
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