CID 122155906

2307779-13-9

Structural Information

Molecular Formula
C7H12N4O
SMILES
CO[C@@H]1CNC[C@H]1C2=NNN=C2
InChI
InChI=1S/C7H12N4O/c1-12-7-4-8-2-5(7)6-3-9-11-10-6/h3,5,7-8H,2,4H2,1H3,(H,9,10,11)/t5-,7+/m0/s1
InChIKey
GCICREJUOSGACW-CAHLUQPWSA-N
Compound name
4-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.4
[M+Na]+ 191.09032 143.7
[M-H]- 167.09382 135.2
[M+NH4]+ 186.13492 153.3
[M+K]+ 207.06426 141.2
[M+H-H2O]+ 151.09836 127.6
[M+HCOO]- 213.09930 153.6
[M+CH3COO]- 227.11495 147.7
[M+Na-2H]- 189.07577 138.8
[M]+ 168.10055 131.9
[M]- 168.10165 131.9
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.