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 144.6
[M+Na]+ 226.15662 147.7
[M-H]- 202.16012 148.9
[M+NH4]+ 221.20122 162.9
[M+K]+ 242.13056 148.7
[M+H-H2O]+ 186.16466 139.6
[M+HCOO]- 248.16560 163.4
[M+CH3COO]- 262.18125 191.9
[M+Na-2H]- 224.14207 148.6
[M]+ 203.16685 137.4
[M]- 203.16795 137.4
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.