CID 38918

41635-24-9

Structural Information

Molecular Formula
C14H21N
SMILES
CC(CC1=CC2=C(CCCCC2)C=C1)N
InChI
InChI=1S/C14H21N/c1-11(15)9-12-7-8-13-5-3-2-4-6-14(13)10-12/h7-8,10-11H,2-6,9,15H2,1H3
InChIKey
MPZULIMUUJEARC-UHFFFAOYSA-N
Compound name
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 145.5
[M+Na]+ 226.15662 154.9
[M+NH4]+ 221.20122 154.3
[M+K]+ 242.13056 149.3
[M-H]- 202.16012 148.9
[M+Na-2H]- 224.14207 151.2
[M]+ 203.16685 147.7
[M]- 203.16795 147.7
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.