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

142
Patents

147.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 129.8
[M+Na]+ 170.09402 137.1
[M-H]- 146.09752 132.6
[M+NH4]+ 165.13862 151.0
[M+K]+ 186.06796 134.5
[M+H-H2O]+ 130.10206 123.3
[M+HCOO]- 192.10300 149.8
[M+CH3COO]- 206.11865 143.1
[M+Na-2H]- 168.07947 138.1
[M]+ 147.10425 126.8
[M]- 147.10535 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