CID 137944404

2287279-16-5

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC(=O)C1(CC1)N2C=CN=N2
InChI
InChI=1S/C7H9N3O/c1-6(11)7(2-3-7)10-5-4-8-9-10/h4-5H,2-3H2,1H3
InChIKey
LVBNFLLPRCDZER-UHFFFAOYSA-N
Compound name
1-[1-(triazol-1-yl)cyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 139.1
[M+Na]+ 174.06377 149.9
[M-H]- 150.06727 142.9
[M+NH4]+ 169.10837 154.7
[M+K]+ 190.03771 147.8
[M+H-H2O]+ 134.07181 131.5
[M+HCOO]- 196.07275 160.6
[M+CH3COO]- 210.08840 177.4
[M+Na-2H]- 172.04922 145.1
[M]+ 151.07400 141.7
[M]- 151.07510 141.7
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

No patent data available for this compound.