CID 63032201

1-(1-methyl-1h-imidazol-2-yl)pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN1C=CN=C1N2CCC(C2)C(=O)O
InChI
InChI=1S/C9H13N3O2/c1-11-5-3-10-9(11)12-4-2-7(6-12)8(13)14/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKey
RFYXIKNCQWHSQD-UHFFFAOYSA-N
Compound name
1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.8
[M+Na]+ 218.08999 150.4
[M-H]- 194.09349 144.6
[M+NH4]+ 213.13459 160.8
[M+K]+ 234.06393 148.7
[M+H-H2O]+ 178.09803 134.9
[M+HCOO]- 240.09897 161.6
[M+CH3COO]- 254.11462 180.0
[M+Na-2H]- 216.07544 143.0
[M]+ 195.10022 140.8
[M]- 195.10132 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.