CID 12676227

3-amino-1-propylurea

Structural Information

Molecular Formula
C4H11N3O
SMILES
CCCNC(=O)NN
InChI
InChI=1S/C4H11N3O/c1-2-3-6-4(8)7-5/h2-3,5H2,1H3,(H2,6,7,8)
InChIKey
JVQWYTBVNPMEAH-UHFFFAOYSA-N
Compound name
1-amino-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

117.09021 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.09749 124.0
[M+Na]+ 140.07943 129.6
[M-H]- 116.08293 124.0
[M+NH4]+ 135.12403 145.3
[M+K]+ 156.05337 129.8
[M+H-H2O]+ 100.08747 118.4
[M+HCOO]- 162.08841 150.2
[M+CH3COO]- 176.10406 175.7
[M+Na-2H]- 138.06488 130.3
[M]+ 117.08966 120.9
[M]- 117.09076 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