CID 15228837

1955557-41-1

Structural Information

Molecular Formula
C6H10N4
SMILES
C1CNCC1N2C=CN=N2
InChI
InChI=1S/C6H10N4/c1-2-7-5-6(1)10-4-3-8-9-10/h3-4,6-7H,1-2,5H2
InChIKey
WKTIBPHCHGGVEN-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-yltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

138.09055 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.097826 128.3
[M+Na]+ 161.079768 135.6
[M-H]- 137.083274 128.1
[M+NH4]+ 156.124373 146.8
[M+K]+ 177.053708 133.9
[M+H-H2O]+ 121.087810 119.0
[M+HCOO]- 183.088751 147.1
[M+CH3COO]- 197.104401 140.4
[M+Na-2H]- 159.065216 132.3
[M]+ 138.09000142 123.5
[M]- 138.09109858 123.5
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

patents stripe