CID 38926

5h-benzocycloheptene-2-ethanamine, 6,7,8,9-tetrahydro-n,n,alpha,alpha-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C17H27N
SMILES
CC(C)(CC1=CC2=C(CCCCC2)C=C1)N(C)C
InChI
InChI=1S/C17H27N/c1-17(2,18(3)4)13-14-10-11-15-8-6-5-7-9-16(15)12-14/h10-12H,5-9,13H2,1-4H3
InChIKey
KEJWVIBKBWRCMA-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-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

245.21436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.22164 156.6
[M+Na]+ 268.20358 159.3
[M-H]- 244.20708 162.5
[M+NH4]+ 263.24818 174.4
[M+K]+ 284.17752 161.2
[M+H-H2O]+ 228.21162 151.5
[M+HCOO]- 290.21256 174.9
[M+CH3COO]- 304.22821 203.9
[M+Na-2H]- 266.18903 161.2
[M]+ 245.21381 152.7
[M]- 245.21491 152.7
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.