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

literature stripe

Patent stripe

patents stripe