CID 67701

3-guanidinopropionic acid

Structural Information

Molecular Formula
C4H9N3O2
SMILES
C(CN=C(N)N)C(=O)O
InChI
InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
InChIKey
KMXXSJLYVJEBHI-UHFFFAOYSA-N
Compound name
3-(diaminomethylideneamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

195
References

2375
Patents

131.06947 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.07675 126.6
[M+Na]+ 154.05869 132.5
[M+NH4]+ 149.10329 132.4
[M+K]+ 170.03263 130.2
[M-H]- 130.06219 125.5
[M+Na-2H]- 152.04414 128.3
[M]+ 131.06892 126.3
[M]- 131.07002 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

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Patent stripe

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