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 169.4
[M+Na]+ 284.20972 172.4
[M-H]- 260.21322 174.5
[M+NH4]+ 279.25432 186.4
[M+K]+ 300.18366 171.7
[M+H-H2O]+ 244.21776 161.4
[M+HCOO]- 306.21870 193.2
[M+CH3COO]- 320.23435 214.2
[M+Na-2H]- 282.19517 168.8
[M]+ 261.21995 169.3
[M]- 261.22105 169.3
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.