CID 3012614

1-(4-heptylphenyl)guanidine

Structural Information

Molecular Formula
C14H23N3
SMILES
CCCCCCCC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C14H23N3/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)17-14(15)16/h8-11H,2-7H2,1H3,(H4,15,16,17)
InChIKey
XCZKPRSFQKVBHT-UHFFFAOYSA-N
Compound name
2-(4-heptylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.1892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 158.1
[M+Na]+ 256.178418 162.2
[M-H]- 232.181924 161.3
[M+NH4]+ 251.223023 175.3
[M+K]+ 272.152358 159.1
[M+H-H2O]+ 216.186460 150.3
[M+HCOO]- 278.187401 183.4
[M+CH3COO]- 292.203051 203.1
[M+Na-2H]- 254.163866 160.8
[M]+ 233.18865142 156.3
[M]- 233.18974858 156.3
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

No patent data available for this compound.