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]+ 168.07675 141.6
[M+Na]+ 190.05869 152.1
[M-H]- 166.06219 144.1
[M+NH4]+ 185.10329 154.3
[M+K]+ 206.03263 148.3
[M+H-H2O]+ 150.06673 133.5
[M+HCOO]- 212.06767 162.1
[M+CH3COO]- 226.08332 178.3
[M+Na-2H]- 188.04414 145.5
[M]+ 167.06892 143.9
[M]- 167.07002 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