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 149.1
[M+Na]+ 220.14204 155.1
[M-H]- 196.14554 151.9
[M+NH4]+ 215.18664 167.2
[M+K]+ 236.11598 157.1
[M+H-H2O]+ 180.15008 136.2
[M+HCOO]- 242.15102 169.4
[M+CH3COO]- 256.16667 208.0
[M+Na-2H]- 218.12749 150.4
[M]+ 197.15227 146.5
[M]- 197.15337 146.5
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.