CID 202712

Urea, (2,2-dimethylvaleryl)-

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCCC(C)(C)C(=O)NC(=O)N
InChI
InChI=1S/C8H16N2O2/c1-4-5-8(2,3)6(11)10-7(9)12/h4-5H2,1-3H3,(H3,9,10,11,12)
InChIKey
GKFQYYGALVVKKQ-UHFFFAOYSA-N
Compound name
N-carbamoyl-2,2-dimethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 140.3
[M+Na]+ 195.110408 145.7
[M-H]- 171.113914 140.2
[M+NH4]+ 190.155013 159.9
[M+K]+ 211.084348 145.6
[M+H-H2O]+ 155.118450 135.3
[M+HCOO]- 217.119391 162.2
[M+CH3COO]- 231.135041 185.1
[M+Na-2H]- 193.095856 143.8
[M]+ 172.12064142 139.2
[M]- 172.12173858 139.2
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