CID 192172

78592-91-3

Structural Information

Molecular Formula
C11H15N
SMILES
CC1(CNCC2=CC=CC=C21)C
InChI
InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
InChIKey
QOWZBQAJZICMKD-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.5
[M+Na]+ 184.10967 143.0
[M-H]- 160.11317 137.1
[M+NH4]+ 179.15427 157.5
[M+K]+ 200.08361 139.4
[M+H-H2O]+ 144.11771 129.5
[M+HCOO]- 206.11865 153.7
[M+CH3COO]- 220.13430 148.1
[M+Na-2H]- 182.09512 143.7
[M]+ 161.11990 131.3
[M]- 161.12100 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe