CID 11264841

847818-76-2

Structural Information

Molecular Formula
C12H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CCC
InChI
InChI=1S/C12H21BN2O2/c1-6-9-15-10(7-8-14-15)13-16-11(2,3)12(4,5)17-13/h7-8H,6,9H2,1-5H3
InChIKey
FLLUYNSHSZMQPN-UHFFFAOYSA-N
Compound name
1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

236.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17688 148.0
[M+Na]+ 259.15882 157.6
[M-H]- 235.16232 154.0
[M+NH4]+ 254.20342 168.6
[M+K]+ 275.13276 158.2
[M+H-H2O]+ 219.16686 142.9
[M+HCOO]- 281.16780 167.5
[M+CH3COO]- 295.18345 191.6
[M+Na-2H]- 257.14427 151.9
[M]+ 236.16905 152.4
[M]- 236.17015 152.4
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