CID 3073211

147352-77-0

Structural Information

Molecular Formula
C16H23N
SMILES
CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C16H23N/c1-12-14(9-10-16(12,2)3)11-15(17)13-7-5-4-6-8-13/h4-8,15H,9-11,17H2,1-3H3
InChIKey
RAYFRXHPTNGNCJ-UHFFFAOYSA-N
Compound name
1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 155.9
[M+Na]+ 252.17226 162.3
[M-H]- 228.17576 162.2
[M+NH4]+ 247.21686 177.4
[M+K]+ 268.14620 158.5
[M+H-H2O]+ 212.18030 149.8
[M+HCOO]- 274.18124 178.4
[M+CH3COO]- 288.19689 195.1
[M+Na-2H]- 250.15771 157.2
[M]+ 229.18249 153.8
[M]- 229.18359 153.8
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.