CID 502

N-carbamoylputrescine

Structural Information

Molecular Formula
C5H13N3O
SMILES
C(CCNC(=O)N)CN
InChI
InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)
InChIKey
YANFYYGANIYHGI-UHFFFAOYSA-N
Compound name
4-aminobutylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

214
Patents

131.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.11315 128.0
[M+Na]+ 154.09509 134.4
[M+NH4]+ 149.13969 134.6
[M+K]+ 170.06903 130.7
[M-H]- 130.09859 127.9
[M+Na-2H]- 152.08054 130.4
[M]+ 131.10532 128.2
[M]- 131.10642 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe