CID 3078297

N,n-dimethyl-n-(2-(p-isobutylphenyl)propyl)guanidine hydrochloride

Structural Information

Molecular Formula
C16H27N3
SMILES
CC(C)CC1=CC=C(C=C1)C(C)CN=C(N)N(C)C
InChI
InChI=1S/C16H27N3/c1-12(2)10-14-6-8-15(9-7-14)13(3)11-18-16(17)19(4)5/h6-9,12-13H,10-11H2,1-5H3,(H2,17,18)
InChIKey
ZFJMKWAXNPMIGN-UHFFFAOYSA-N
Compound name
1,1-dimethyl-2-[2-[4-(2-methylpropyl)phenyl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.2205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.22778 168.4
[M+Na]+ 284.20972 176.9
[M+NH4]+ 279.25432 175.6
[M+K]+ 300.18366 171.2
[M-H]- 260.21322 172.0
[M+Na-2H]- 282.19517 173.1
[M]+ 261.21995 170.3
[M]- 261.22105 170.3
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.