CID 85762826

3-(3-(dimethylamino)propyl)-1,1-dimethylurea hydrochloride

Structural Information

Molecular Formula
C8H19N3O
SMILES
CN(C)CCCNC(=O)N(C)C
InChI
InChI=1S/C8H19N3O/c1-10(2)7-5-6-9-8(12)11(3)4/h5-7H2,1-4H3,(H,9,12)
InChIKey
WTKUDVAZHNXRTC-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.15282 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.160096 143.2
[M+Na]+ 196.142038 147.5
[M-H]- 172.145544 146.1
[M+NH4]+ 191.186643 164.0
[M+K]+ 212.115978 149.9
[M+H-H2O]+ 156.150080 136.6
[M+HCOO]- 218.151021 169.8
[M+CH3COO]- 232.166671 195.5
[M+Na-2H]- 194.127486 146.9
[M]+ 173.15227142 145.2
[M]- 173.15336858 145.2
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