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

26
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 138.6
[M+Na]+ 198.125318 146.2
[M-H]- 174.128824 142.7
[M+NH4]+ 193.169923 161.8
[M+K]+ 214.099258 143.0
[M+H-H2O]+ 158.133360 133.2
[M+HCOO]- 220.134301 159.6
[M+CH3COO]- 234.149951 184.4
[M+Na-2H]- 196.110766 145.4
[M]+ 175.13555142 134.8
[M]- 175.13664858 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