CID 22401764

4-cyclopropyl-1h-1,2,3-triazole hydrochloride

Structural Information

Molecular Formula
C5H7N3
SMILES
C1CC1C2=NNN=C2
InChI
InChI=1S/C5H7N3/c1-2-4(1)5-3-6-8-7-5/h3-4H,1-2H2,(H,6,7,8)
InChIKey
LOSIUHLAYNGOTD-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

109.063995 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 127.0
[M+Na]+ 132.05321 137.7
[M-H]- 108.05672 129.4
[M+NH4]+ 127.09782 141.9
[M+K]+ 148.02715 134.2
[M+H-H2O]+ 92.061255 118.9
[M+HCOO]- 154.06220 148.7
[M+CH3COO]- 168.07785 140.1
[M+Na-2H]- 130.03866 133.9
[M]+ 109.06345 126.7
[M]- 109.06454 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe