CID 69744117

3,8,8-trimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC2=C(C=C1N)C(CCC2)(C)C
InChI
InChI=1S/C13H19N/c1-9-7-10-5-4-6-13(2,3)11(10)8-12(9)14/h7-8H,4-6,14H2,1-3H3
InChIKey
PQKSLGHTTZKFMD-UHFFFAOYSA-N
Compound name
3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 142.6
[M+Na]+ 212.140968 150.8
[M-H]- 188.144474 147.0
[M+NH4]+ 207.185573 165.6
[M+K]+ 228.114908 147.3
[M+H-H2O]+ 172.149010 137.4
[M+HCOO]- 234.149951 163.3
[M+CH3COO]- 248.165601 188.6
[M+Na-2H]- 210.126416 148.2
[M]+ 189.15120142 139.6
[M]- 189.15229858 139.6
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

patents stripe