CID 79154183

1,3,3-trimethyl-1-(pyrrolidin-3-yl)urea

Structural Information

Molecular Formula

C₈H₁₇N₃O

SMILES

CN(C)C(=O)N(C)C1CCNC1

InChI

InChI=1S/C8H17N3O/c1-10(2)8(12)11(3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3

InChIKey

DPWUPATVIQFUKF-UHFFFAOYSA-N

Compound name

1,1,3-trimethyl-3-pyrrolidin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 171.13716 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.144436	140.9
[M+Na]+	194.126378	144.8
[M-H]-	170.129884	144.0
[M+NH4]+	189.170983	161.4
[M+K]+	210.100318	146.0
[M+H-H2O]+	154.134420	133.6
[M+HCOO]-	216.135361	163.2
[M+CH3COO]-	230.151011	186.5
[M+Na-2H]-	192.111826	142.7
[M]+	171.13661142	137.7
[M]-	171.13770858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe