CID 3073299

Benzenemethanamine, n-2-propenyl-alpha-((2,3,3-trimethyl-1-cyclopenten-1-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C19H27N
SMILES
CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)NCC=C
InChI
InChI=1S/C19H27N/c1-5-13-20-18(16-9-7-6-8-10-16)14-17-11-12-19(3,4)15(17)2/h5-10,18,20H,1,11-14H2,2-4H3
InChIKey
RNGRWJKGDAPPBH-UHFFFAOYSA-N
Compound name
N-[1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.22164 167.7
[M+Na]+ 292.20358 173.1
[M-H]- 268.20708 173.9
[M+NH4]+ 287.24818 187.7
[M+K]+ 308.17752 168.3
[M+H-H2O]+ 252.21162 161.0
[M+HCOO]- 314.21256 190.0
[M+CH3COO]- 328.22821 204.0
[M+Na-2H]- 290.18903 168.5
[M]+ 269.21381 166.9
[M]- 269.21491 166.9
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.