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]+ 196.14444 145.0
[M+Na]+ 218.12638 152.4
[M-H]- 194.12988 146.4
[M+NH4]+ 213.17098 163.3
[M+K]+ 234.10032 150.0
[M+H-H2O]+ 178.13442 136.7
[M+HCOO]- 240.13536 164.1
[M+CH3COO]- 254.15101 180.9
[M+Na-2H]- 216.11183 145.8
[M]+ 195.13661 143.3
[M]- 195.13771 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.