CID 19614660

(4-bromo-1h-pyrazol-1-yl)methanol

Structural Information

Molecular Formula
C4H5BrN2O
SMILES
C1=C(C=NN1CO)Br
InChI
InChI=1S/C4H5BrN2O/c5-4-1-6-7(2-4)3-8/h1-2,8H,3H2
InChIKey
AAGVUZFWBQUDSJ-UHFFFAOYSA-N
Compound name
(4-bromopyrazol-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

175.95853 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96581 125.6
[M+Na]+ 198.94775 138.9
[M-H]- 174.95125 128.7
[M+NH4]+ 193.99235 148.2
[M+K]+ 214.92169 128.9
[M+H-H2O]+ 158.95579 125.6
[M+HCOO]- 220.95673 146.5
[M+CH3COO]- 234.97238 173.5
[M+Na-2H]- 196.93320 134.0
[M]+ 175.95798 144.0
[M]- 175.95908 144.0
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