CID 122155815

Rac-4-[(3r,4s)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1h-pyrazole dihydrochloride

Structural Information

Molecular Formula
C10H17N3O
SMILES
CN1C=C(C=N1)[C@@H]2CNC[C@H]2COC
InChI
InChI=1S/C10H17N3O/c1-13-6-8(4-12-13)10-5-11-3-9(10)7-14-2/h4,6,9-11H,3,5,7H2,1-2H3/t9-,10-/m0/s1
InChIKey
IWRQPAYJOAVNLV-UWVGGRQHSA-N
Compound name
4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 145.0
[M+Na]+ 218.126378 152.4
[M-H]- 194.129884 146.4
[M+NH4]+ 213.170983 163.3
[M+K]+ 234.100318 150.0
[M+H-H2O]+ 178.134420 136.7
[M+HCOO]- 240.135361 164.1
[M+CH3COO]- 254.151011 180.9
[M+Na-2H]- 216.111826 145.8
[M]+ 195.13661142 143.3
[M]- 195.13770858 143.3
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.