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

5
Patents

131.10587 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.113146 129.7
[M+Na]+ 154.095088 134.7
[M-H]- 130.098594 129.7
[M+NH4]+ 149.139693 150.4
[M+K]+ 170.069028 135.1
[M+H-H2O]+ 114.103130 124.0
[M+HCOO]- 176.104071 154.6
[M+CH3COO]- 190.119721 179.7
[M+Na-2H]- 152.080536 134.1
[M]+ 131.10532142 126.3
[M]- 131.10641858 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