CID 62933511

7,7-dimethyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-amine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CC1(CCC2=CC=CC=C2C(C1)N)C
InChI
InChI=1S/C13H19N/c1-13(2)8-7-10-5-3-4-6-11(10)12(14)9-13/h3-6,12H,7-9,14H2,1-2H3
InChIKey
VQQROXIKFLOQPL-UHFFFAOYSA-N
Compound name
7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 140.5
[M+Na]+ 212.14097 146.2
[M-H]- 188.14447 145.7
[M+NH4]+ 207.18557 161.7
[M+K]+ 228.11491 146.7
[M+H-H2O]+ 172.14901 136.1
[M+HCOO]- 234.14995 160.6
[M+CH3COO]- 248.16560 152.8
[M+Na-2H]- 210.12642 146.4
[M]+ 189.15120 134.2
[M]- 189.15230 134.2
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.