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 138.0
[M+Na]+ 194.08999 142.8
[M-H]- 170.09349 138.2
[M+NH4]+ 189.13459 156.9
[M+K]+ 210.06393 141.5
[M+H-H2O]+ 154.09803 131.5
[M+HCOO]- 216.09897 158.4
[M+CH3COO]- 230.11462 180.0
[M+Na-2H]- 192.07544 139.0
[M]+ 171.10022 131.5
[M]- 171.10132 131.5
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