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]+ 172.14444 139.9
[M+Na]+ 194.12638 144.8
[M-H]- 170.12988 141.7
[M+NH4]+ 189.17098 160.1
[M+K]+ 210.10032 144.0
[M+H-H2O]+ 154.13442 132.9
[M+HCOO]- 216.13536 162.7
[M+CH3COO]- 230.15101 183.3
[M+Na-2H]- 192.11183 143.0
[M]+ 171.13661 136.4
[M]- 171.13771 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