CID 43604170

3-(propan-2-yl)-1-(pyrrolidin-3-yl)urea hydrochloride

Structural Information

Molecular Formula
C8H17N3O
SMILES
CC(C)NC(=O)NC1CCNC1
InChI
InChI=1S/C8H17N3O/c1-6(2)10-8(12)11-7-3-4-9-5-7/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12)
InChIKey
UBASIRUCHLTMBN-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-pyrrolidin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.13716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 141.2
[M+Na]+ 194.126378 144.4
[M-H]- 170.129884 141.3
[M+NH4]+ 189.170983 160.2
[M+K]+ 210.100318 143.3
[M+H-H2O]+ 154.134420 134.2
[M+HCOO]- 216.135361 161.5
[M+CH3COO]- 230.151011 180.5
[M+Na-2H]- 192.111826 143.2
[M]+ 171.13661142 134.8
[M]- 171.13770858 134.8
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

No patent data available for this compound.