CID 66213586

1-propyl-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCCN1C=C(N=N1)C=O
InChI
InChI=1S/C6H9N3O/c1-2-3-9-4-6(5-10)7-8-9/h4-5H,2-3H2,1H3
InChIKey
RVYPXKJNPYRZLH-UHFFFAOYSA-N
Compound name
1-propyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.0
[M+Na]+ 162.06377 136.9
[M-H]- 138.06727 126.8
[M+NH4]+ 157.10837 146.6
[M+K]+ 178.03771 135.7
[M+H-H2O]+ 122.07181 119.4
[M+HCOO]- 184.07275 149.7
[M+CH3COO]- 198.08840 172.9
[M+Na-2H]- 160.04922 133.5
[M]+ 139.07400 129.1
[M]- 139.07510 129.1
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