CID 91623932

4-cyclopropyl-1-(pyrrolidin-3-yl)-1h-1,2,3-triazole dihydrochloride

Structural Information

Molecular Formula
C9H14N4
SMILES
C1CC1C2=CN(N=N2)C3CCNC3
InChI
InChI=1S/C9H14N4/c1-2-7(1)9-6-13(12-11-9)8-3-4-10-5-8/h6-8,10H,1-5H2
InChIKey
CDMVQRUGJHHERZ-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1-pyrrolidin-3-yltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12184 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12912 143.7
[M+Na]+ 201.11106 155.5
[M+NH4]+ 196.15566 151.7
[M+K]+ 217.08500 154.6
[M-H]- 177.11456 152.0
[M+Na-2H]- 199.09651 152.0
[M]+ 178.12129 148.5
[M]- 178.12239 148.5
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.