CID 199235

Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)

Structural Information

Molecular Formula
C10H19N3O
SMILES
CN(C)CC#CCN(C)C(=O)N(C)C
InChI
InChI=1S/C10H19N3O/c1-11(2)8-6-7-9-13(5)10(14)12(3)4/h8-9H2,1-5H3
InChIKey
VKMQHLLOFGWNAS-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

197.15282 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 149.6
[M+Na]+ 220.14204 156.8
[M+NH4]+ 215.18664 152.9
[M+K]+ 236.11598 149.8
[M-H]- 196.14554 142.7
[M+Na-2H]- 218.12749 149.7
[M]+ 197.15227 147.5
[M]- 197.15337 147.5
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

No patent data available for this compound.