CID 499571

N-(4-butylphenyl)guanidine

Structural Information

Molecular Formula
C11H17N3
SMILES
CCCCC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C11H17N3/c1-2-3-4-9-5-7-10(8-6-9)14-11(12)13/h5-8H,2-4H2,1H3,(H4,12,13,14)
InChIKey
IIRIDIBAVSYTKC-UHFFFAOYSA-N
Compound name
2-(4-butylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 144.5
[M+Na]+ 214.13146 150.0
[M-H]- 190.13496 148.4
[M+NH4]+ 209.17606 163.5
[M+K]+ 230.10540 147.6
[M+H-H2O]+ 174.13950 137.4
[M+HCOO]- 236.14044 170.9
[M+CH3COO]- 250.15609 193.9
[M+Na-2H]- 212.11691 148.9
[M]+ 191.14169 141.7
[M]- 191.14279 141.7
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.