CID 11857456

1-(2-aminoethyl)-3-methylurea dihydrochloride

Structural Information

Molecular Formula
C4H11N3O
SMILES
CNC(=O)NCCN
InChI
InChI=1S/C4H11N3O/c1-6-4(8)7-3-2-5/h2-3,5H2,1H3,(H2,6,7,8)
InChIKey
LSFPCCTYAJBRAC-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

117.09021 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.097486 124.0
[M+Na]+ 140.079428 129.6
[M-H]- 116.082934 124.0
[M+NH4]+ 135.124033 145.3
[M+K]+ 156.053368 129.8
[M+H-H2O]+ 100.087470 118.4
[M+HCOO]- 162.088411 150.2
[M+CH3COO]- 176.104061 175.7
[M+Na-2H]- 138.064876 130.3
[M]+ 117.08966142 120.9
[M]- 117.09075858 120.9
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