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

2936
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 126.2
[M+Na]+ 154.05869 131.7
[M-H]- 130.06219 125.7
[M+NH4]+ 149.10329 146.3
[M+K]+ 170.03263 131.8
[M+H-H2O]+ 114.06673 120.4
[M+HCOO]- 176.06767 151.2
[M+CH3COO]- 190.08332 178.0
[M+Na-2H]- 152.04414 130.0
[M]+ 131.06892 122.1
[M]- 131.07002 122.1
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