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

3
Patents

171.13716 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 140.4
[M+Na]+ 194.12638 146.9
[M+NH4]+ 189.17098 147.6
[M+K]+ 210.10032 145.3
[M-H]- 170.12988 141.2
[M+Na-2H]- 192.11183 143.5
[M]+ 171.13661 141.0
[M]- 171.13771 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe