CID 107141370

2-[3-(4-iodo-1h-pyrazol-1-yl)azetidin-3-yl]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H10IN3O2
SMILES
C1C(CN1)(CC(=O)O)N2C=C(C=N2)I
InChI
InChI=1S/C8H10IN3O2/c9-6-2-11-12(3-6)8(1-7(13)14)4-10-5-8/h2-3,10H,1,4-5H2,(H,13,14)
InChIKey
LDIWWMDDFPKWQF-UHFFFAOYSA-N
Compound name
2-[3-(4-iodopyrazol-1-yl)azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.98178 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.98906 149.0
[M+Na]+ 329.97100 148.5
[M-H]- 305.97450 142.7
[M+NH4]+ 325.01560 155.5
[M+K]+ 345.94494 154.3
[M+H-H2O]+ 289.97904 134.1
[M+HCOO]- 351.97998 160.7
[M+CH3COO]- 365.99563 189.1
[M+Na-2H]- 327.95645 141.0
[M]+ 306.98123 152.2
[M]- 306.98233 152.2
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.