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]+ 152.081826 139.1
[M+Na]+ 174.063768 149.9
[M-H]- 150.067274 142.9
[M+NH4]+ 169.108373 154.7
[M+K]+ 190.037708 147.8
[M+H-H2O]+ 134.071810 131.5
[M+HCOO]- 196.072751 160.6
[M+CH3COO]- 210.088401 177.4
[M+Na-2H]- 172.049216 145.1
[M]+ 151.07400142 141.7
[M]- 151.07509858 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.