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]+ 234.19648 158.1
[M+Na]+ 256.17842 162.2
[M-H]- 232.18192 161.3
[M+NH4]+ 251.22302 175.3
[M+K]+ 272.15236 159.1
[M+H-H2O]+ 216.18646 150.3
[M+HCOO]- 278.18740 183.4
[M+CH3COO]- 292.20305 203.1
[M+Na-2H]- 254.16387 160.8
[M]+ 233.18865 156.3
[M]- 233.18975 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.