CID 120028

3-methyl-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C10H13N
SMILES
CC1=CC2=C(CCCC2)N=C1
InChI
InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3
InChIKey
GMMKZUPOLVXWFF-UHFFFAOYSA-N
Compound name
3-methyl-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

147.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 129.8
[M+Na]+ 170.094018 137.1
[M-H]- 146.097524 132.6
[M+NH4]+ 165.138623 151.0
[M+K]+ 186.067958 134.5
[M+H-H2O]+ 130.102060 123.3
[M+HCOO]- 192.103001 149.8
[M+CH3COO]- 206.118651 143.1
[M+Na-2H]- 168.079466 138.1
[M]+ 147.10425142 126.8
[M]- 147.10534858 126.8
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