CID 296132

17696-89-8

Structural Information

Molecular Formula
C6H14N4O2
SMILES
CN(C)C(=O)NNC(=O)N(C)C
InChI
InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12)
InChIKey
RAUKYARZDOSMOO-UHFFFAOYSA-N
Compound name
3-(dimethylcarbamoylamino)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

174.11168 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.118956 140.3
[M+Na]+ 197.100898 144.8
[M-H]- 173.104404 143.7
[M+NH4]+ 192.145503 160.6
[M+K]+ 213.074838 148.2
[M+H-H2O]+ 157.108940 133.4
[M+HCOO]- 219.109881 167.9
[M+CH3COO]- 233.125531 194.7
[M+Na-2H]- 195.086346 144.0
[M]+ 174.11113142 140.5
[M]- 174.11222858 140.5
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