CID 4156003

3-pyrazoline hydrochloride

Structural Information

Molecular Formula
C3H6N2
SMILES
C1C=CNN1
InChI
InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-2,4-5H,3H2
InChIKey
KEQTWHPMSVAFDA-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13399
Patents

70.0531 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.060376 111.4
[M+Na]+ 93.042318 121.7
[M+NH4]+ 88.086923 119.8
[M+K]+ 109.01626 118.3
[M-H]- 69.045824 111.0
[M+Na-2H]- 91.027766 117.0
[M]+ 70.052551 112.4
[M]- 70.053649 112.4
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