CID 53950076

(pyrazolidin-4-yl)methanol dihydrochloride

Structural Information

Molecular Formula
C4H10N2O
SMILES
C1C(CNN1)CO
InChI
InChI=1S/C4H10N2O/c7-3-4-1-5-6-2-4/h4-7H,1-3H2
InChIKey
FPLGVOSLJCBGLF-UHFFFAOYSA-N
Compound name
pyrazolidin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

102.079315 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.086591 121.8
[M+Na]+ 125.068533 127.8
[M-H]- 101.072039 118.1
[M+NH4]+ 120.113138 141.6
[M+K]+ 141.042473 125.6
[M+H-H2O]+ 85.076575 115.7
[M+HCOO]- 147.077516 138.8
[M+CH3COO]- 161.093166 156.6
[M+Na-2H]- 123.053981 126.5
[M]+ 102.07876642 114.4
[M]- 102.07986358 114.4
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

patents stripe