CID 155970590

2639462-54-5

Structural Information

Molecular Formula
C10H15IN2
SMILES
CC(C)(C)N1C=C(C(=N1)C2CC2)I
InChI
InChI=1S/C10H15IN2/c1-10(2,3)13-6-8(11)9(12-13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKey
YVUZFQKETMJGFX-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-cyclopropyl-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03528 149.0
[M+Na]+ 313.01722 153.0
[M-H]- 289.02072 147.5
[M+NH4]+ 308.06182 159.4
[M+K]+ 328.99116 155.0
[M+H-H2O]+ 273.02526 138.7
[M+HCOO]- 335.02620 165.2
[M+CH3COO]- 349.04185 194.3
[M+Na-2H]- 311.00267 142.0
[M]+ 290.02745 149.6
[M]- 290.02855 149.6
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.