CID 115613491

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

Structural Information

Molecular Formula
C10H21N3O
SMILES
CN1CCC(C1)CN(C)C(=O)N(C)C
InChI
InChI=1S/C10H21N3O/c1-11(2)10(14)13(4)8-9-5-6-12(3)7-9/h9H,5-8H2,1-4H3
InChIKey
OJHLBCRLRWNYRC-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.16846 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.17574 149.1
[M+Na]+ 222.15768 153.5
[M-H]- 198.16118 153.6
[M+NH4]+ 217.20228 169.6
[M+K]+ 238.13162 155.1
[M+H-H2O]+ 182.16572 141.6
[M+HCOO]- 244.16666 172.3
[M+CH3COO]- 258.18231 196.4
[M+Na-2H]- 220.14313 149.7
[M]+ 199.16791 149.0
[M]- 199.16901 149.0
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

No patent data available for this compound.