CID 19005968

1-(pyrrolidin-3-yl)-1h-1,2,3-triazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1CNCC1N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C7H10N4O2/c12-7(13)6-4-11(10-9-6)5-1-2-8-3-5/h4-5,8H,1-3H2,(H,12,13)
InChIKey
APVORTSBDKXMKN-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-yltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

182.08037 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 138.7
[M+Na]+ 205.06959 145.8
[M-H]- 181.07309 137.8
[M+NH4]+ 200.11419 154.8
[M+K]+ 221.04353 143.8
[M+H-H2O]+ 165.07763 130.1
[M+HCOO]- 227.07857 155.4
[M+CH3COO]- 241.09422 173.5
[M+Na-2H]- 203.05504 140.0
[M]+ 182.07982 134.3
[M]- 182.08092 134.3
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