CID 19794111

2,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CCC2=CC=CC=C2C1N)C
InChI
InChI=1S/C12H17N/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,11H,7-8,13H2,1-2H3
InChIKey
BXNUTDVMNFQGLN-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 138.6
[M+Na]+ 198.12532 146.2
[M-H]- 174.12882 142.7
[M+NH4]+ 193.16992 161.8
[M+K]+ 214.09926 143.0
[M+H-H2O]+ 158.13336 133.2
[M+HCOO]- 220.13430 159.6
[M+CH3COO]- 234.14995 184.4
[M+Na-2H]- 196.11077 145.4
[M]+ 175.13555 134.8
[M]- 175.13665 134.8
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