CID 43662243

Benzyl(1h-pyrazol-3-ylmethyl)amine hydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC=C(C=C1)CNCC2=CC=NN2
InChI
InChI=1S/C11H13N3/c1-2-4-10(5-3-1)8-12-9-11-6-7-13-14-11/h1-7,12H,8-9H2,(H,13,14)
InChIKey
CEBUOOAEYWDXFN-UHFFFAOYSA-N
Compound name
1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 139.4
[M+Na]+ 210.10017 146.0
[M-H]- 186.10367 141.9
[M+NH4]+ 205.14477 156.9
[M+K]+ 226.07411 141.8
[M+H-H2O]+ 170.10821 130.9
[M+HCOO]- 232.10915 162.6
[M+CH3COO]- 246.12480 151.6
[M+Na-2H]- 208.08562 146.7
[M]+ 187.11040 136.7
[M]- 187.11150 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe