CID 122155815

1969288-74-1

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 145.4
[M+Na]+ 218.12638 155.3
[M+NH4]+ 213.17098 152.5
[M+K]+ 234.10032 153.6
[M-H]- 194.12988 145.9
[M+Na-2H]- 216.11183 149.7
[M]+ 195.13661 146.6
[M]- 195.13771 146.6
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.