CID 13157241

57930-20-8

Structural Information

Molecular Formula
C4H11N3O
SMILES
CC(C)NC(=O)NN
InChI
InChI=1S/C4H11N3O/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)
InChIKey
LFKPBYQABCKLDW-UHFFFAOYSA-N
Compound name
1-amino-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

117.09021 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.09749 125.2
[M+Na]+ 140.07943 130.5
[M-H]- 116.08293 125.3
[M+NH4]+ 135.12403 146.4
[M+K]+ 156.05337 131.2
[M+H-H2O]+ 100.08747 119.6
[M+HCOO]- 162.08841 150.4
[M+CH3COO]- 176.10406 176.6
[M+Na-2H]- 138.06488 130.0
[M]+ 117.08966 121.4
[M]- 117.09076 121.4
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