CID 62061065

1-(cyclopropylmethyl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC1CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)6-4-10(9-8-6)3-5-1-2-5/h4-5H,1-3H2,(H,11,12)
InChIKey
LGECTKJDPJOBJJ-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

167.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 141.6
[M+Na]+ 190.058688 152.1
[M-H]- 166.062194 144.1
[M+NH4]+ 185.103293 154.3
[M+K]+ 206.032628 148.3
[M+H-H2O]+ 150.066730 133.5
[M+HCOO]- 212.067671 162.1
[M+CH3COO]- 226.083321 178.3
[M+Na-2H]- 188.044136 145.5
[M]+ 167.06892142 143.9
[M]- 167.07001858 143.9
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