CID 199233

Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C12H21N3O
SMILES
CN(C)C(=O)N(C)CC#CCN1CCCC1
InChI
InChI=1S/C12H21N3O/c1-13(2)12(16)14(3)8-4-5-9-15-10-6-7-11-15/h6-11H2,1-3H3
InChIKey
ZQYSCKVTZKCRBP-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.16846 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.17574 154.9
[M+Na]+ 246.15768 160.3
[M-H]- 222.16118 156.8
[M+NH4]+ 241.20228 171.6
[M+K]+ 262.13162 159.2
[M+H-H2O]+ 206.16572 140.5
[M+HCOO]- 268.16666 171.5
[M+CH3COO]- 282.18231 204.5
[M+Na-2H]- 244.14313 154.5
[M]+ 223.16791 148.7
[M]- 223.16901 148.7
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.