CID 21594000

2-(1-carbamimidoylpyrrolidin-2-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H13N3O2
SMILES
C1CC(N(C1)C(=N)N)CC(=O)O
InChI
InChI=1S/C7H13N3O2/c8-7(9)10-3-1-2-5(10)4-6(11)12/h5H,1-4H2,(H3,8,9)(H,11,12)
InChIKey
VYKGYAQKCAHXKR-UHFFFAOYSA-N
Compound name
2-(1-carbamimidoylpyrrolidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

171.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10805 138.2
[M+Na]+ 194.08999 143.7
[M+NH4]+ 189.13459 143.8
[M+K]+ 210.06393 143.1
[M-H]- 170.09349 137.2
[M+Na-2H]- 192.07544 139.4
[M]+ 171.10022 137.8
[M]- 171.10132 137.8
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

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