CID 16773953

1269104-88-2

Structural Information

Molecular Formula
C13H15N3
SMILES
C1CC1NCC2=CN(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3/c1-2-4-13(5-3-1)16-10-11(9-15-16)8-14-12-6-7-12/h1-5,9-10,12,14H,6-8H2
InChIKey
CFSWGPKIUBEZAA-UHFFFAOYSA-N
Compound name
N-[(1-phenylpyrazol-4-yl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 147.8
[M+Na]+ 236.11582 156.9
[M-H]- 212.11932 155.5
[M+NH4]+ 231.16042 160.3
[M+K]+ 252.08976 151.9
[M+H-H2O]+ 196.12386 138.9
[M+HCOO]- 258.12480 172.4
[M+CH3COO]- 272.14045 160.1
[M+Na-2H]- 234.10127 153.8
[M]+ 213.12605 149.0
[M]- 213.12715 149.0
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

No patent data available for this compound.