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]+ 204.174676 144.6
[M+Na]+ 226.156618 147.7
[M-H]- 202.160124 148.9
[M+NH4]+ 221.201223 162.9
[M+K]+ 242.130558 148.7
[M+H-H2O]+ 186.164660 139.6
[M+HCOO]- 248.165601 163.4
[M+CH3COO]- 262.181251 191.9
[M+Na-2H]- 224.142066 148.6
[M]+ 203.16685142 137.4
[M]- 203.16794858 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.