CID 55283751

1-(3-aminopropyl)-3-methylurea hydrochloride

Structural Information

Molecular Formula
C5H13N3O
SMILES
CNC(=O)NCCCN
InChI
InChI=1S/C5H13N3O/c1-7-5(9)8-4-2-3-6/h2-4,6H2,1H3,(H2,7,8,9)
InChIKey
NTVYKGPYJZTKJR-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

131.10587 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.11315 128.5
[M+Na]+ 154.09509 133.7
[M-H]- 130.09859 128.4
[M+NH4]+ 149.13969 149.3
[M+K]+ 170.06903 133.6
[M+H-H2O]+ 114.10313 122.7
[M+HCOO]- 176.10407 154.4
[M+CH3COO]- 190.11972 178.8
[M+Na-2H]- 152.08054 134.2
[M]+ 131.10532 125.8
[M]- 131.10642 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe