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]+ 198.160096 149.1
[M+Na]+ 220.142038 155.1
[M-H]- 196.145544 151.9
[M+NH4]+ 215.186643 167.2
[M+K]+ 236.115978 157.1
[M+H-H2O]+ 180.150080 136.2
[M+HCOO]- 242.151021 169.4
[M+CH3COO]- 256.166671 208.0
[M+Na-2H]- 218.127486 150.4
[M]+ 197.15227142 146.5
[M]- 197.15336858 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.