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]+ 216.14952 149.0
[M+Na]+ 238.13146 156.1
[M-H]- 214.13496 152.4
[M+NH4]+ 233.17606 166.1
[M+K]+ 254.10540 151.9
[M+H-H2O]+ 198.13950 140.1
[M+HCOO]- 260.14044 172.4
[M+CH3COO]- 274.15609 189.6
[M+Na-2H]- 236.11691 153.9
[M]+ 215.14169 148.3
[M]- 215.14279 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.