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]+ 246.221636 156.6
[M+Na]+ 268.203578 159.3
[M-H]- 244.207084 162.5
[M+NH4]+ 263.248183 174.4
[M+K]+ 284.177518 161.2
[M+H-H2O]+ 228.211620 151.5
[M+HCOO]- 290.212561 174.9
[M+CH3COO]- 304.228211 203.9
[M+Na-2H]- 266.189026 161.2
[M]+ 245.21381142 152.7
[M]- 245.21490858 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.