CID 24704245

(1-benzyl-1h-pyrazol-4-yl)methanamine

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)CN
InChI
InChI=1S/C11H13N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8,12H2
InChIKey
MSUNGGQPLNEWHJ-UHFFFAOYSA-N
Compound name
(1-benzylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

187.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.0
[M+Na]+ 210.10017 148.0
[M-H]- 186.10367 143.7
[M+NH4]+ 205.14477 158.2
[M+K]+ 226.07411 144.3
[M+H-H2O]+ 170.10821 131.5
[M+HCOO]- 232.10915 164.0
[M+CH3COO]- 246.12480 152.9
[M+Na-2H]- 208.08562 145.9
[M]+ 187.11040 138.6
[M]- 187.11150 138.6
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