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

27
Patents

215.98982 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 141.1
[M+Na]+ 238.97904 155.7
[M-H]- 214.98254 147.9
[M+NH4]+ 234.02364 159.3
[M+K]+ 254.95298 144.5
[M+H-H2O]+ 198.98708 141.1
[M+HCOO]- 260.98802 161.2
[M+CH3COO]- 275.00367 183.4
[M+Na-2H]- 236.96449 148.8
[M]+ 215.98927 161.2
[M]- 215.99037 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