CID 23273394

3-amino-1-(2-methylpropyl)urea

Structural Information

Molecular Formula
C5H13N3O
SMILES
CC(C)CNC(=O)NN
InChI
InChI=1S/C5H13N3O/c1-4(2)3-7-5(9)8-6/h4H,3,6H2,1-2H3,(H2,7,8,9)
InChIKey
WJBSWVUVFXMIBD-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

131.10587 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.11315 129.7
[M+Na]+ 154.09509 134.7
[M-H]- 130.09859 129.7
[M+NH4]+ 149.13969 150.4
[M+K]+ 170.06903 135.1
[M+H-H2O]+ 114.10313 124.0
[M+HCOO]- 176.10407 154.6
[M+CH3COO]- 190.11972 179.7
[M+Na-2H]- 152.08054 134.1
[M]+ 131.10532 126.3
[M]- 131.10642 126.3
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