CID 62221765

[1-(3-phenylpropyl)-1h-imidazol-2-yl]methanamine

Structural Information

Molecular Formula
C13H17N3
SMILES
C1=CC=C(C=C1)CCCN2C=CN=C2CN
InChI
InChI=1S/C13H17N3/c14-11-13-15-8-10-16(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10H,4,7,9,11,14H2
InChIKey
MYRFLAURLODWBD-UHFFFAOYSA-N
Compound name
[1-(3-phenylpropyl)imidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.0
[M+Na]+ 238.131458 156.1
[M-H]- 214.134964 152.4
[M+NH4]+ 233.176063 166.1
[M+K]+ 254.105398 151.9
[M+H-H2O]+ 198.139500 140.1
[M+HCOO]- 260.140441 172.4
[M+CH3COO]- 274.156091 189.6
[M+Na-2H]- 236.116906 153.9
[M]+ 215.14169142 148.3
[M]- 215.14278858 148.3
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.