CID 59735239

3-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea hydrochloride

Structural Information

Molecular Formula
C8H17N3O
SMILES
CNC(=O)NCC1CCN(C1)C
InChI
InChI=1S/C8H17N3O/c1-9-8(12)10-5-7-3-4-11(2)6-7/h7H,3-6H2,1-2H3,(H2,9,10,12)
InChIKey
NKIOHORMYZJSGT-UHFFFAOYSA-N
Compound name
1-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

171.13716 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 139.9
[M+Na]+ 194.126378 144.8
[M-H]- 170.129884 141.7
[M+NH4]+ 189.170983 160.1
[M+K]+ 210.100318 144.0
[M+H-H2O]+ 154.134420 132.9
[M+HCOO]- 216.135361 162.7
[M+CH3COO]- 230.151011 183.3
[M+Na-2H]- 192.111826 143.0
[M]+ 171.13661142 136.4
[M]- 171.13770858 136.4
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