CID 86262648

[1-(pyrrolidin-3-yl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CNCC1N2C=C(N=N2)CO
InChI
InChI=1S/C7H12N4O/c12-5-6-4-11(10-9-6)7-1-2-8-3-7/h4,7-8,12H,1-3,5H2
InChIKey
OXYWNKORLFUOQX-UHFFFAOYSA-N
Compound name
(1-pyrrolidin-3-yltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.7
[M+Na]+ 191.09032 146.0
[M+NH4]+ 186.13492 143.1
[M+K]+ 207.06426 145.4
[M-H]- 167.09382 135.9
[M+Na-2H]- 189.07577 141.0
[M]+ 168.10055 137.3
[M]- 168.10165 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.