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 146.8
[M+Na]+ 201.11106 155.9
[M-H]- 177.11456 150.4
[M+NH4]+ 196.15566 159.2
[M+K]+ 217.08500 151.3
[M+H-H2O]+ 161.11910 137.4
[M+HCOO]- 223.12004 165.2
[M+CH3COO]- 237.13569 157.8
[M+Na-2H]- 199.09651 148.2
[M]+ 178.12129 144.4
[M]- 178.12239 144.4
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.