CID 138039604

2241142-25-4

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
C1CC1(CO)N2C=C(C=N2)Br
InChI
InChI=1S/C7H9BrN2O/c8-6-3-9-10(4-6)7(5-11)1-2-7/h3-4,11H,1-2,5H2
InChIKey
UCIBJNSKKIUIRM-UHFFFAOYSA-N
Compound name
[1-(4-bromopyrazol-1-yl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

215.98982 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.997096 141.1
[M+Na]+ 238.979038 155.7
[M-H]- 214.982544 147.9
[M+NH4]+ 234.023643 159.3
[M+K]+ 254.952978 144.5
[M+H-H2O]+ 198.987080 141.1
[M+HCOO]- 260.988021 161.2
[M+CH3COO]- 275.003671 183.4
[M+Na-2H]- 236.964486 148.8
[M]+ 215.98927142 161.2
[M]- 215.99036858 161.2
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