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

20
Patents

182.08037 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.087646 138.7
[M+Na]+ 205.069588 145.8
[M-H]- 181.073094 137.8
[M+NH4]+ 200.114193 154.8
[M+K]+ 221.043528 143.8
[M+H-H2O]+ 165.077630 130.1
[M+HCOO]- 227.078571 155.4
[M+CH3COO]- 241.094221 173.5
[M+Na-2H]- 203.055036 140.0
[M]+ 182.07982142 134.3
[M]- 182.08091858 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