CID 79033

Pyrazolidine

Structural Information

Molecular Formula
C3H8N2
SMILES
C1CNNC1
InChI
InChI=1S/C3H8N2/c1-2-4-5-3-1/h4-5H,1-3H2
InChIKey
USPWKWBDZOARPV-UHFFFAOYSA-N
Compound name
pyrazolidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

106664
Patents

72.06875 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.076026 113.7
[M+Na]+ 95.057968 119.7
[M-H]- 71.061474 111.1
[M+NH4]+ 90.102573 135.2
[M+K]+ 111.03191 118.3
[M+H-H2O]+ 55.066010 107.4
[M+HCOO]- 117.06695 132.3
[M+CH3COO]- 131.08260 153.1
[M+Na-2H]- 93.043416 120.2
[M]+ 72.068201 106.0
[M]- 72.069299 106.0
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