CID 129983610

(3-amino-2-hydroxypropyl)urea hydrochloride

Structural Information

Molecular Formula
C4H11N3O2
SMILES
C(C(CNC(=O)N)O)N
InChI
InChI=1S/C4H11N3O2/c5-1-3(8)2-7-4(6)9/h3,8H,1-2,5H2,(H3,6,7,9)
InChIKey
JEJJWMKLWOIIGG-UHFFFAOYSA-N
Compound name
(3-amino-2-hydroxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

133.08513 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09241 127.8
[M+Na]+ 156.07435 132.6
[M-H]- 132.07785 125.9
[M+NH4]+ 151.11895 147.2
[M+K]+ 172.04829 132.5
[M+H-H2O]+ 116.08239 122.1
[M+HCOO]- 178.08333 151.1
[M+CH3COO]- 192.09898 176.5
[M+Na-2H]- 154.05980 131.1
[M]+ 133.08458 122.5
[M]- 133.08568 122.5
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